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Search results for: '1(3)1013'
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1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Cas Number: 85507-69-3Formula: C16H13NO3Molecular weight: 267.28Synonyms: 1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one|57026-80-9|85507-69-3|NSC640537|(E)-1-(4-methylp...SMILES: CC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]InChIKey: SGCDUQWVNMXCOR-JXMROGBWSA-NInChI: InChI=1S/C16H13NO3/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(11-13)17(19)20/h2-11H,1H3/b10-7+
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1-methyl-3-tetradecylimidazol-1-ium,hexafluorophosphate
Cas Number: 219947-94-1Formula: C18H35F6N2PMolecular weight: 424.44Synonyms: 1-Methyl-3-tetradecylimidazolium hexafluorophosphate|219947-94-1|DTXSID4049248|1-Methyl-3-tetradecyl...SMILES: CCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)FInChIKey: VYARLXKWHFGQBN-UHFFFAOYSA-NInChI: InChI=1S/C18H35N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;1-7(2,3,4,5)6/h16-18H,3-15H2,1-2H3;/q+1;-1
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1-(3-bromophenyl)cyclopropan-1-amine hydrochloride
Cas Number: 597563-15-0Formula: C9H10BrN.HClMolecular weight: 248.54Synonyms: 597563-15-0|1-(3-Bromophenyl)cyclopropanamine hydrochloride|1-(3-Bromophenyl)cyclopropan-1-amine hyd...SMILES: C1CC1(C2=CC(=CC=C2)Br)N.ClInChIKey: UWXABAPQDJQLKC-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
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3-Mercapto-3-methyl-1-butanol
Cas Number: 34300-94-2Formula: C5H12OSMolecular weight: 120.21Synonyms: SCHEMBL334236 | 3-Methyl-3-sulfanylbutanol-1-ol | AS-59797 | 3-Mercapto-3-methylbutan-1-ol, >=98%, F...SMILES: CC(C)(CCO)SInChIKey: GBCGIJAYTBMFHI-UHFFFAOYSA-NInChI: InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
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3-Fluoro-5-(3-hydroxyprop-1-yn-1-yl)-picolinonitrile
Cas Number: 1246088-46-9Formula: C9H5FN2OMolecular weight: 176.1Synonyms: 3-Fluoro-5-(3-hydroxyprop-1-yn-1-yl)-picolinonitrile|1246088-46-9|3-Fluoro-5-(3-hydroxyprop-1-yn-1-y...SMILES: C1=C(C=NC(=C1F)C#N)C#CCOInChIKey: HPXMDUOFALQRHH-UHFFFAOYSA-NInChI: InChI=1S/C9H5FN2O/c10-8-4-7(2-1-3-13)6-12-9(8)5-11/h4,6,13H,3H2
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3-ethoxy-3-oxoprop-1-en-1-olate sodium salt
Cas Number: 58986-28-0Formula: C5H8NaO3Molecular weight: 139.1044Synonyms: Sodium 3-ethoxy-3-oxoprop-1-en-1-olate|58986-28-0|287390-25-4|3-ethoxy-3-oxoprop-1-en-1-olate sodium...SMILES: CCOC(=O)C=C[O-].[Na+]InChIKey: ITWVTNYFGKFDGE-BJILWQEISA-MInChI: InChI=1S/C5H8O3.Na/c1-2-8-5(7)3-4-6;/h3-4,6H,2H2,1H3;/q;+1/p-1/b4-3+;
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4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)phenylboronic acid
Cas Number: 850568-49-9Formula: C11H13BO4Molecular weight: 220Synonyms: A863744 | Ethyl 4-boronocinnamate | 4-(TRANS-3-ETHOXY-3-OXO-1-PROPEN-1-YL)BENZENEBORONIC ACID | (4-(...SMILES: B(C1=CC=C(C=C1)C=CC(=O)OCC)(O)OInChIKey: OVNZUEJWYIMMSW-VMPITWQZSA-NInChI: InChI=1S/C11H13BO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8,14-15H,2H2,1H3/b8-5+
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3-Chloro-3-methyl-1-butyne
Formula: ClC(CH3)2C≡CHMolecular weight: 102.56Synonyms: 1-Butyne, 3-chloro-3-methyl- | AMY19182 | MFCD00190221 | NSC 16173 | SCHEMBL284084 | J-512208 | 3-ch...SMILES: CC(C)(C#C)ClInChIKey: QSILYWCNPOLKPN-UHFFFAOYSA-NInChI: InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
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(S)-(-)-3-Chloro-1-phenyl-1-propanol
Cas Number: 100306-34-1Formula: ClCH2CH2CH(C6H5)OHMolecular weight: 170.64Synonyms: (S)-(-)-a-(2-Chloroethyl)benzyl Alcohol | [S]-(-)-1 chloro -3-phenyl-3-propanol | -(2-Chloroethyl)be...SMILES: C1=CC=C(C=C1)C(CCCl)OInChIKey: JZFUHAGLMZWKTF-VIFPVBQESA-NInChI: InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
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1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine
Cas Number: 59491-62-2Formula: C42H82NO8PMolecular weight: 760.076Synonyms: 18:1-16:0 PC | 1-Oleoyl-2-Palmitoyl-sn-glycero-3-PC | 1-Oleoyl-2-Palmitoyl-sn-glycero-3-Phosphocholi...SMILES: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)CInChIKey: RRVPPYNAZJRZFR-VYOBOKEXSA-NInChI: See more
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3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate
Cas Number: 143218-48-8Formula: C3H6ClNaO4S·xH2OMolecular weight: 196.59Synonyms: 143218-48-8|3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate|Sodium 3-chloro-2-hydroxyp...SMILES: C(C(CCl)O)S(=O)(=O)[O-].O.[Na+]InChIKey: ZPFGAXXLEFTBEU-UHFFFAOYSA-MInChI: InChI=1S/C3H7ClO4S.Na.H2O/c4-1-3(5)2-9(6,7)8;;/h3,5H,1-2H2,(H,6,7,8);;1H2/q;+1;/p-1
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3-(1-Pyridinio)-1-propanesulfonate(NDSB 201)
Cas Number: 15471-17-7 EC Number: 239-491-3Formula: C8H11NO3SMolecular weight: 201.24Synonyms: 3-pyridin-1-ium-1-ylpropane-1-sulfonate | MLS000779841 | QN4I6AI9EK | 3-PYRIDINIUM-1-YLPROPANE-1-SUL...SMILES: C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
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1-pheny-3-methyl-5-pyrazolone
Formula: C10H10N2OMolecular weight: 174.20Synonyms: PMP | N-DESMETHYLANTIPYRINE | AE-641/00371017 | Edaravone [USAN:INN] | NSC-26139 | CI Developer 1 | ...SMILES: CC1=NN(C(=O)C1)C2=CC=CC=C2InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
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3-Chloro-1-phenyl-1-propanol
Cas Number: 18776-12-0Formula: C9H11ClOMolecular weight: 170.64Synonyms: (1R,5S)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane hydrochloride;Centanafadine hydrochloride; | r...SMILES: C1=CC=C(C=C1)C(CCCl)OInChIKey: JZFUHAGLMZWKTF-UHFFFAOYSA-NInChI: InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
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1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphocholine
Cas Number: 74430-89-0Formula: C26H56NO6PMolecular weight: 509.7Synonyms: 1-Octadecyl-sn-glycero-3-phosphocholine | MFCD00065889 | XKBJVQHMEXMFDZ-AREMUKBSSA-N | 1-o-octadecyl...SMILES: CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OInChIKey: XKBJVQHMEXMFDZ-AREMUKBSSA-NInChI: InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/t26-/m1/s1
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1-Palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol
Cas Number: 2680-59-3Formula: C55H100O6Molecular weight: 857.39Synonyms: 1-Palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol | CHEBI:190960 | S6K38J8R5G | HMS3649G11 | 1-Palmitoyl...SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: KGLAHZTWGPHKFF-FBSASISJSA-NInChI: See more
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2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Cas Number: 315710-85-1Formula: C14H13ClFNOMolecular weight: 265.71Synonyms: 2-Chloro-1-(1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone | AKOS000343494 | Ethanone,2-chl...SMILES: CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CClInChIKey: UMSNWZWJTFGFSJ-UHFFFAOYSA-NInChI: InChI=1S/C14H13ClFNO/c1-9-6-13(14(18)8-15)10(2)17(9)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3
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1-Bromo-3-Fluoropropane
Cas Number: 352-91-0Formula: C3H6BrFMolecular weight: 140.98Synonyms: Propane, 1-bromo-3-fluoro- | 1-bromo-3-fluoro-propan;1-fluoro-3-bromopropane | 3-Fluoropropyl bromid...SMILES: C(CF)CBrInChIKey: VNHWPVLQRKKKRY-UHFFFAOYSA-NInChI: InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2
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1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
Cas Number: 1217031-87-2Formula: C9H11Cl2NMolecular weight: 204.09Synonyms: 1217031-87-2|1-(3-Chlorophenyl)cyclopropanamine hydrochloride|1-(3-Chlorophenyl)cyclopropan-1-amine ...SMILES: C1CC1(C2=CC(=CC=C2)Cl)N.ClInChIKey: AWQJBHOHCVILOR-UHFFFAOYSA-NInChI: InChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
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(Z)-3-Methylpent-2-en-4-yn-1-ol
Cas Number: 6153-05-5Formula: C6H8OMolecular weight: 96.13Synonyms: (Z)-3-Methylpent-2-en-4-yn-1-ol|6153-05-5|1-Pentol cis-form|C3L27C7DKP|2-Penten-4-yn-1-ol, 3-methyl-...SMILES: CC(=CCO)C#CInChIKey: ZSJHASYJQIRSLE-XQRVVYSFSA-NInChI: InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4-
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1-Phenyl-3-buten-1-ol
Cas Number: 936-58-3Formula: C10H12OMolecular weight: 148.21Synonyms: Benzenemethanol, .alpha.-2-propenyl- | 1-Phenyl-3-buten-1-ol | P1329 | 1-Phenyl-3-buten-1-ol # | EN3...SMILES: C=CCC(C1=CC=CC=C1)OInChIKey: RGKVZBXSJFAZRE-UHFFFAOYSA-NInChI: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2
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1-Benzylazetidin-3-ol
Cas Number: 54881-13-9Formula: C10H13NOMolecular weight: 163.2Synonyms: 1-benzylazetidin-3-ol|54881-13-9|1-Benzyl-azetidin-3-ol|1-benzyl 3-hydroxy-azetidine|1-benzyl-3-azet...SMILES: C1C(CN1CC2=CC=CC=C2)OInChIKey: JOXQHYFVXZZGQZ-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
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1-Bromo-3-cyclopropylbenzene
Cas Number: 1798-85-2Formula: C9H9BrMolecular weight: 197.07Synonyms: 1-bromo-3-cyclopropylbenzene|1798-85-2|Benzene, 1-bromo-3-cyclopropyl-|1-bromo-3-cyclopropyl-benzene...SMILES: C1CC1C2=CC(=CC=C2)BrInChIKey: BCBNVQYWODLZSI-UHFFFAOYSA-NInChI: InChI=1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
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3-Methyl-1-phenyl-2-phospholene 1-Oxide
Cas Number: 707-61-9Formula: C11H13OPMolecular weight: 192.2Synonyms: 2-Phospholene, 3-methyl-1-phenyl-, 1-oxide | 3-methyl-l-phenyl-2-phospholene-1-oxide | AS-66185 | DT...SMILES: CC1=CP(=O)(CC1)C2=CC=CC=C2InChIKey: YMKWWHFRGALXLE-UHFFFAOYSA-NInChI: InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
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3 Citations 
