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Search results for: '10431-98-8'
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3-Hexanone
Formula: C6H12OMolecular weight: 100.16Synonyms: SCHEMBL107318 | Q223076 | CHEBI:89891 | EN300-107420 | PENTANONE, METHYL- | MFCD00009402 | P601A79G7...SMILES: CCCC(=O)CCInChIKey: PFCHFHIRKBAQGU-UHFFFAOYSA-NInChI: InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
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CC-90010
Cas Number: 1706738-98-8Formula: C21H21NO4SMolecular weight: 383.46Synonyms: Trotabresib|CC-90010|1706738-98-8|Trotabresib [USAN]|QC5487|Bet inhibitor cc-90010|K424WH3WU0|CC9001...SMILES: CN1C=C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CC4InChIKey: UWZAJPITKGWMFJ-UHFFFAOYSA-NInChI: InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3
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3-Amino-1-cyclopentyl-1h-pyrazole-4-carbonitrile
Cas Number: 122799-98-8Formula: C9H12N4Molecular weight: 176.2Synonyms: 3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile|122799-98-8|3-amino-1-cyclopentylpyrazole-4-carboni...SMILES: C1CCC(C1)N2C=C(C(=N2)N)C#NInChIKey: JWFXBAXRJTXECX-UHFFFAOYSA-NInChI: InChI=1S/C9H12N4/c10-5-7-6-13(12-9(7)11)8-3-1-2-4-8/h6,8H,1-4H2,(H2,11,12)
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Allitol
Cas Number: 488-44-8Formula: C6H14O6Molecular weight: 182.17Synonyms: Allitol|488-44-8|d-allitol|Allodulcitol|Allodulcit|(2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol|B3F996O6JU...SMILES: C(C(C(C(C(CO)O)O)O)O)OInChIKey: FBPFZTCFMRRESA-FBXFSONDSA-NInChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+
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2,3-Dimethyl-2-butene
Cas Number: 563-79-1 EC Number: MFCD00008897Formula: C6H12Molecular weight: 84.16Synonyms: 2,3-Dimethyl-2-butene, 98% | 2-Butene, 2,3-dimethyl- | 7UQ4B3F5JC | MFCD00008897 | 2-Butene,3-dimeth...SMILES: CC(=C(C)C)CInChIKey: WGLLSSPDPJPLOR-UHFFFAOYSA-NInChI: InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3
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β-Endosulfan
Cas Number: 33213-65-9Formula: C9H6Cl6O3SMolecular weight: 406.93Synonyms: Endosulfan I|BETA-ENDOSULFAN|959-98-8|ALPHA-ENDOSULFAN|33213-65-9|Endosulfan II|Endosulfan 2|.beta.-...SMILES: C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)ClInChIKey: RDYMFSUJUZBWLH-AZVNHNRSSA-NInChI: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?
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Dichloroacetal
Cas Number: 619-33-0Formula: C6H12Cl2O2Molecular weight: 187.06Synonyms: Dichloroacetaldehyde diethyl acetal, 98% | MFCD00000849 | Dichloroacetaldehyde diethyl acetal, purum...SMILES: CCOC(C(Cl)Cl)OCCInChIKey: CDHLQZJRWKQATP-UHFFFAOYSA-NInChI: InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3
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Methyl Pivalate
Cas Number: 598-98-1Formula: C6H12O2Molecular weight: 116.16Synonyms: FT-0676041 | DTXCID607234 | SCHEMBL15139 | CAS-598-98-1 | EINECS 209-959-1 | Tox21_200448 | AKOS0091...SMILES: CC(C)(C)C(=O)OCInChIKey: CNMFHDIDIMZHKY-UHFFFAOYSA-NInChI: InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3
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Indium chloride
Cas Number: 10025-82-8 EC Number: 233-043-0Formula: InCl3Molecular weight: 221.18Synonyms: DTXSID8033566 | CAS-10025-82-8 | Indiclor (TN) | Indium(III) chloride, ultra dry | Indium trichlorid...SMILES: Cl[In](Cl)ClInChIKey: PSCMQHVBLHHWTO-UHFFFAOYSA-KInChI: InChI=1S/3ClH.In/h3*1H;/q;;;+3/p-3
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3-(p-Tolyl)propionic Acid
Cas Number: 1505-50-6Formula: C10H12O2Molecular weight: 164.2Synonyms: 2-Cyclopentene-1-one | 3-(p-Tolyl)propionic acid, 98% | InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)...SMILES: CC1=CC=C(C=C1)CCC(=O)OInChIKey: LDYGRLNSOKABMM-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
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T-2-Triol standard solution
Cas Number: 34114-98-2 EC Number: 200-835-2Formula: C19H30O7Molecular weight: 382.4Synonyms: T-2 triol|34114-98-2|T2 Toxin Triol|T-2 Toxin Triol|Toxin T-2 triol|Deacetyl-HT-2 toxin|97373-21-2|1...SMILES: CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COInChIKey: DDAUKBBLCGQHIP-CAVDVMKYSA-NInChI: InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1
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Totarol
Cas Number: 511-15-9Formula: C20H30OMolecular weight: 286.45Synonyms: (4bS)-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol, 98% | DTXSID9047...SMILES: CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)OInChIKey: ZRVDANDJSTYELM-FXAWDEMLSA-NInChI: InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
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4-Hydroxy-6-methylpyrimidine
Formula: C5H6N2OMolecular weight: 110.11Synonyms: 6-Methyl-4-pyrimidinol | CS-W001866 | 6-methyl-3,4-dihydropyrimidin-4-one | 6-Methyl-4(3H)-pyrimidin...SMILES: CC1=CC(=O)NC=N1InChIKey: LHRIUKSRPHFASO-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
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2'-Methylacetophenone
Formula: C9H10OMolecular weight: 134.18Synonyms: DTXSID501015360 | 2'-Methylacetophenone, >=98% | ortho-methylacetophenone | 1-(Methylphenyl)-Ethanon...SMILES: CC1=CC=CC=C1C(=O)CInChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-NInChI: InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
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Platycodin D
Cas Number: 58479-68-8Formula: C57H92O28Molecular weight: 1225.32Synonyms: Platycodin D|58479-68-8|PlatycodinD|CWJ06TA2GI|CHEBI:70436|Platycodin-D|UNII-CWJ06TA2GI|PLATYCODIN D...SMILES: See more
InChIKey: CYBWUNOAQPMRBA-NDTOZIJESA-NInChI: See more
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TC-H 106
Cas Number: 937039-45-7Formula: C20H25N3O2Molecular weight: 339.43Synonyms: TC-H 106;Pimelic Diphenylamide 106 | HMS3648I10 | N~1~-(2-Aminophenyl)-N~7~-(4-methylphenyl)heptaned...SMILES: CC1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2NInChIKey: WTKBRPXPNAKVEQ-UHFFFAOYSA-NInChI: InChI=1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)
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Hexatriacontane
Formula: C36H74Molecular weight: 506.97Synonyms: HEXATRIACONTANE|630-06-8|n-Hexatriacontane|CH3-[CH2]34-CH3|NSC-407536|ZX65M35102|n-Hexatriacontane 1...SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCInChIKey: YDLYQMBWCWFRAI-UHFFFAOYSA-NInChI: InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
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5-Bromovaleronitrile
Formula: C5H8BrNMolecular weight: 162.03Synonyms: FT-0620184 | DS-6416 | 1-bromo-4-cyanobutane | 1-bromo-4-cyano-butane | 3,4-Dihydro-4-methyl-1(2H)-n...SMILES: C(CCBr)CC#NInChIKey: NWWWGAKVHCSAEU-UHFFFAOYSA-NInChI: InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
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Imidazo[2,1-b]thiazole-6-carboxylic acid
Cas Number: 53572-98-8Formula: C6H4N2O2SMolecular weight: 168.17Synonyms: Imidazo[2,1-b]thiazole-6-carboxylic acid|53572-98-8|imidazo[2,1-b][1,3]thiazole-6-carboxylic acid|MF...SMILES: C1=CSC2=NC(=CN21)C(=O)OInChIKey: BAKIBSRDBASFAQ-UHFFFAOYSA-NInChI: InChI=1S/C6H4N2O2S/c9-5(10)4-3-8-1-2-11-6(8)7-4/h1-3H,(H,9,10)
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(S)-Methyl 2-amino-2-phenylacetate
Cas Number: 37760-98-8Formula: C9H11NO2Molecular weight: 165.19Synonyms: (S)-Methyl 2-amino-2-phenylacetate|37760-98-8|Methyl L-phenylglycinate|L-Phenylglycine methyl ester|...SMILES: COC(=O)C(C1=CC=CC=C1)NInChIKey: BHFLUDRTVIDDOR-QMMMGPOBSA-NInChI: InChI=1S/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3/t8-/m0/s1
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(+)-Nootkatone
Cas Number: 4674-50-4Formula: C15H22OMolecular weight: 218.34Synonyms: (+)-Nootkatone, technical, >=85% (GC) | Nootkanone | UNII-3K3OKV2A5A | 4Betah,5alpha-eremophila-1(10...SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)CInChIKey: WTOYNNBCKUYIKC-JMSVASOKSA-NInChI: InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
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3-Butylpyridine
Formula: C9H13NMolecular weight: 135.21Synonyms: DTXSID9060231 | QSNMFWFDOFQASV-UHFFFAOYSA-N | InChI=1/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2...SMILES: CCCCC1=CN=CC=C1InChIKey: QSNMFWFDOFQASV-UHFFFAOYSA-NInChI: InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
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4-Cyanophenyl isothiocyanate
Formula: NCC6H4NCSMolecular weight: 160.2Synonyms: J-016688 | DTXSID3062609 | C3169 | J-515609 | A818950 | 4-Isothiocyanatobenzenenitrile | 4-Cyanophen...SMILES: C1=CC(=CC=C1C#N)N=C=SInChIKey: DZFKAXLNKZXNHD-UHFFFAOYSA-NInChI: InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
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7 Citations 
