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Search results for: '225-593-5'
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4-Oxo-4-(2-thienyl)butyric acid
Cas Number: 4653-08-1Formula: C8H8O3SMolecular weight: 184.21Synonyms: 3-(.alpha.-Thenoyl)propionic acid | 3-(2-Thenoyl)propionic acid | A924242 | 4-(2-thienyl)-4-keto-but...SMILES: C1=CSC(=C1)C(=O)CCC(=O)OInChIKey: ULJMYWHLMLRYSO-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
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4-Amino-1H-imidazole-5-carbonitrile
Cas Number: 5098-11-3Formula: C4H4N4Molecular weight: 108.1Synonyms: 5-Amino-1H-imidazole-4-carbonitrile # | Imidazole-4-carbonitrile, 5-amino- | TS-01531 | 5-Amino-4-im...SMILES: C1=NC(=C(N1)C#N)NInChIKey: XEPBRDBFOSKYCF-UHFFFAOYSA-NInChI: InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
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α-Chlorophenylacetic acid
Cas Number: 4755-72-0Formula: C8H7ClO2Molecular weight: 170.59Synonyms: 2-chloro-2-phenylacetic acid|4755-72-0|Chloro(phenyl)acetic acid|a-chlorophenylacetic acid|MFCD00037...SMILES: C1=CC=C(C=C1)C(C(=O)O)ClInChIKey: QKSGIGXOKHZCQZ-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
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Methyl 2-amino-5-chlorobenzoate
Cas Number: 5202-89-1Formula: C8H8ClNO2Molecular weight: 185.61Synonyms: 8P-016 | AKOS000299138 | BIDD:GT0588 | EINECS 225-992-4 | Methyl 5-chloroanthranilate | methyl 5-chl...SMILES: COC(=O)C1=C(C=CC(=C1)Cl)NInChIKey: IGHVUURTQGBABT-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
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Phenylthiohydantoin-isoleucine (contains PTH-alloisoleucine)
Cas Number: 5066-94-4Formula: C13H16N2OSMolecular weight: 248.34Synonyms: 5-(1-Methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one | 5-butan-2-yl-3-phenyl-2-sulfanylideneimidaz...SMILES: CCC(C)C1C(=O)N(C(=S)N1)C2=CC=CC=C2InChIKey: NMRFWXLNHGJLIU-UHFFFAOYSA-NInChI: InChI=1S/C13H16N2OS/c1-3-9(2)11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,17)
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Vinylboronic acid 2-methyl-2,4-pentanediol ester
Cas Number: 4627-10-5Formula: C8H15BO2Molecular weight: 154.01Synonyms: 4,4,6-Trimethyl-2-vinyl-1,3,2-dioxaborinane|4627-10-5|2-ethenyl-4,4,6-trimethyl-1,3,2-dioxaborinane|...SMILES: B1(OC(CC(O1)(C)C)C)C=CInChIKey: LFOAVJXWGLVDDI-UHFFFAOYSA-NInChI: InChI=1S/C8H15BO2/c1-5-9-10-7(2)6-8(3,4)11-9/h5,7H,1,6H2,2-4H3
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5-Methylisoxazole-3-carboxylic acid
Formula: C5H5NO3Molecular weight: 127.1Synonyms: BB 0237313 | 3-CARBOXY-5-METHYLISOXAZOLE | STR04361 | AKOS000263471 | STK260850 | EINECS 225-454-9 |...SMILES: CC1=CC(=NO1)C(=O)OInChIKey: BNMPIJWVMVNSRD-UHFFFAOYSA-NInChI: InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
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1,3,4-Thiadiazole-2,5-dithiol dipotassium salt
Cas Number: 4628-94-8Formula: C2K2N2S3Molecular weight: 226.43Synonyms: 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt | EINECS 225-043-4 | 1,3,4-Thiadiazolidine-2,5-dithio...SMILES: C1(=NN=C(S1)[S-])[S-].[K+].[K+]InChIKey: GPWLFGDMYSVEGN-UHFFFAOYSA-LInChI: InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;/q;2*+1/p-2
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N-Vinylacetamide
Cas Number: 5202-78-8Formula: C4H7NOMolecular weight: 85.11Synonyms: N-Vinylacetamide | n-vinyl-acetamide | MFCD00081205 | N-Ethenylacetamide | InChI=1/C4H7NO/c1-3-5-4(2...SMILES: CC(=O)NC=CInChIKey: RQAKESSLMFZVMC-UHFFFAOYSA-NInChI: InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)
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2,2-Dimethyl-3-hydroxypropionic Acid
Cas Number: 4835-90-9Formula: C5H10O3Molecular weight: 118.13Synonyms: 5-MethoxybenziMidazole--d3 | 3-Hydroxy-2,2-dimethylpropanoicacid | MFCD00059953 | SCHEMBL38932 | .AL...SMILES: CC(C)(CO)C(=O)OInChIKey: RDFQSFOGKVZWKF-UHFFFAOYSA-NInChI: InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)
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5-Chloro-1-methyl-4-nitroimidazole
Cas Number: 4897-25-0Formula: C4H4ClN3O2Molecular weight: 161.55Synonyms: 5-CHLORO-1-METHYL-4-NITROIMIDAZOLE | C1646 | BRN 0136775 | NSC 7852 | 5-Chloro-1-methyl-4-nitro-1H-i...SMILES: CN1C=NC(=C1Cl)[N+](=O)[O-]InChIKey: OSJUNMSWBBOTQU-UHFFFAOYSA-NInChI: InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
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2-Methyl-3-nitroanisole
Formula: C8H9NO3Molecular weight: 167.16Synonyms: CL8594 | DTXSID50197499 | W-111722 | EINECS 225-424-5 | FT-0612947 | 2-Methyl-3-nitroanisole, 99% | ...SMILES: CC1=C(C=CC=C1OC)[N+](=O)[O-]InChIKey: HQCZLEAGIOIIMC-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
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3-chloro-5-nitro-1H-indazole
Cas Number: 4812-45-7Formula: C7H4ClN3O2Molecular weight: 197.58Synonyms: 3-Chloro-5-nitro-1H-indazole|4812-45-7|3-Chloro-5-nitroindazole|Indazole, 3-chloro-5-nitro-|3-chloro...SMILES: C1=CC2=NNC(=C2C=C1[N+](=O)[O-])ClInChIKey: UOWPRWCAMGTPHI-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
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GR 46611
Cas Number: 185259-85-2Formula: C23H27N3O2Molecular weight: 377.49Synonyms: 3-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-(4-methoxybenzyl)acrylamide | Lopac0_000069 | NCGC00024...SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)OCInChIKey: LBVZWEWTNUDWNS-YRNVUSSQSA-NInChI: InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
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2-(3-Chlorophenyl)ethanol
Cas Number: 5182-44-5Formula: C8H9ClOMolecular weight: 156.61Synonyms: 3-Chlorophenethyl alcohol | SY005019 | InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H | 3-c...SMILES: C1=CC(=CC(=C1)Cl)CCOInChIKey: NDWAVJKRSASRPH-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
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2-Hydroxymethyl-1,3-propanediol
Cas Number: 4704-94-3Formula: C4H10O3Molecular weight: 106.12Synonyms: BCP14986 | AM20100186 | 2-methylolpropane-1,3-diol | EINECS 225-187-8 | SCHEMBL37777 | SY026482 | Me...SMILES: C(C(CO)CO)OInChIKey: SFRDXVJWXWOTEW-UHFFFAOYSA-NInChI: InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2
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3-Chloro-2-nitrobenzoic acid
Formula: C7H4ClNO4Molecular weight: 201.56Synonyms: 3-Chloro-2-nitrobenzoicacid | Benzoic acid, 3-chloro-2-nitro- | FT-0615358 | C0988 | AB00833 | EINEC...SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)OInChIKey: VCHSXYHBMFKRBK-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
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3-Methoxy-2-nitrobenzoic acid
Formula: C8H7NO5Molecular weight: 197.14Synonyms: A7366 | Benzoic acid, 3-methoxy-2-nitro- | m-Anisic acid, 2-nitro- | J-512752 | AKOS003242115 | EINE...SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)OInChIKey: YMOMYSDAOXOCID-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
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(+)-Valencene
Cas Number: 4630-07-3Formula: C15H24Molecular weight: 204.35Synonyms: (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene | EINECS 225-047-6 | U...SMILES: CC1CCC=C2C1(CC(CC2)C(=C)C)CInChIKey: QEBNYNLSCGVZOH-NFAWXSAZSA-NInChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
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3-Pentenenitrile, predominately trans
Cas Number: 16529-66-1Formula: CH3CH=CHCH2CNMolecular weight: 81.12Synonyms: 3-Pentenenitrile, (3E)- | DTXSID1025851 | 1-Cyano-2-butene | 2-benzothiopheneboronic acid | I2GHQ8L4...SMILES: CC=CCC#NInChIKey: UVKXJAUUKPDDNW-NSCUHMNNSA-NInChI: InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
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Methyl 4-Methylsalicylate
Cas Number: 4670-56-8Formula: C9H10O3Molecular weight: 166.18Synonyms: 4',5'-Dihydro-8-methoxypsoralen | InChI=1/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H | MFCD...SMILES: CC1=CC(=C(C=C1)C(=O)OC)OInChIKey: UITFCFWKYAOJEJ-UHFFFAOYSA-NInChI: InChI=1S/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3
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Methyl 3,4,5-trimethoxyanthranilate
Cas Number: 5035-82-5Formula: C11H15NO5Molecular weight: 241.24Synonyms: A871586 | SMR000062595 | InChI=1/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4...SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)N)OC)OCInChIKey: UPVUQELOASQBMY-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
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Propylene glycol butyl ether
Cas Number: 5131-66-8Formula: C7H16O2Molecular weight: 132.2Synonyms: NSC2211 | NSC-2211 | n-Butoxypropanol | Propasol solvent B | DTXSID8027589 | n-Butoxy-2-propanol | A...SMILES: CCCCOCC(C)OInChIKey: RWNUSVWFHDHRCJ-UHFFFAOYSA-NInChI: InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
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3-Carbethoxy-4-piperidone hydrochloride
Cas Number: 4644-61-5Formula: C8H13NO3·HClMolecular weight: 207.65Synonyms: ethyl 4-oxopiperidine-3-carboxylate hydrogen chloride | 3-CARBETHOXY-4-PIPERIDONE HCl | EINECS 225-0...SMILES: CCOC(=O)C1CNCCC1=O.ClInChIKey: RTYXWLMQWSFXNI-UHFFFAOYSA-NInChI: InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H
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