Benzenoids
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Aniline Hydrogen Phthalate 98.0+%, TCI America™
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CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 MDL Number: MFCD00042034 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
| PubChem CID | 170940 |
|---|---|
| CAS | 50930-79-5 |
| Molecular Weight (g/mol) | 259.261 |
| MDL Number | MFCD00042034 |
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| Synonym | aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt |
| IUPAC Name | aniline;phthalic acid |
| InChI Key | QGPZXNSBZMHHSR-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO4 |
2-Chloro-3,5-dinitrobenzotrifluoride 99.0+%, TCI America™
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CAS: 392-95-0 Molecular Formula: C7H2ClF3N2O4 Molecular Weight (g/mol): 270.55 MDL Number: MFCD00007076 InChI Key: RLXKADBMLQPLDV-UHFFFAOYSA-N Synonym: 2-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,5-dinitro-3-trifluoromethyl benzene,benzene, 2-chloro-1,5-dinitro-3-trifluoromethyl,2-chloro-3,5-binitrotrifluorotoluene,pubchem4846,2-chlor-1,5-dinitro-3-trifluormethyl benzol,ksc914e2d,labotest-bb lt00159813,labotest-bb lt03380099,2-chloro-3,5-dinitro-benzotrifluoride PubChem CID: 67851 IUPAC Name: 2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O
| PubChem CID | 67851 |
|---|---|
| CAS | 392-95-0 |
| Molecular Weight (g/mol) | 270.55 |
| MDL Number | MFCD00007076 |
| SMILES | [O-][N+](=O)C1=CC(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O |
| Synonym | 2-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,5-dinitro-3-trifluoromethyl benzene,benzene, 2-chloro-1,5-dinitro-3-trifluoromethyl,2-chloro-3,5-binitrotrifluorotoluene,pubchem4846,2-chlor-1,5-dinitro-3-trifluormethyl benzol,ksc914e2d,labotest-bb lt00159813,labotest-bb lt03380099,2-chloro-3,5-dinitro-benzotrifluoride |
| IUPAC Name | 2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene |
| InChI Key | RLXKADBMLQPLDV-UHFFFAOYSA-N |
| Molecular Formula | C7H2ClF3N2O4 |
Glimepiride 98.0+%, TCI America™
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CAS: 93479-97-1 Molecular Formula: C24H34N4O5S Molecular Weight (g/mol): 490.62 MDL Number: MFCD00878417 InChI Key: WIGIZIANZCJQQY-UHFFFAOYSA-N Synonym: glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin PubChem CID: 3476 IUPAC Name: 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide SMILES: CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
| PubChem CID | 3476 |
|---|---|
| CAS | 93479-97-1 |
| Molecular Weight (g/mol) | 490.62 |
| MDL Number | MFCD00878417 |
| SMILES | CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O |
| Synonym | glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin |
| IUPAC Name | 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide |
| InChI Key | WIGIZIANZCJQQY-UHFFFAOYSA-N |
| Molecular Formula | C24H34N4O5S |
Cinnamonitrile 95.0+%, TCI America™
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CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.162 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
1,3-Bis(4-methoxyphenyl)thiourea 98.0+%, TCI America™
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CAS: 1227-45-8 Molecular Formula: C15H16N2O2S Molecular Weight (g/mol): 288.365 MDL Number: MFCD00025792 InChI Key: RGRJEERVXALLTH-UHFFFAOYSA-N PubChem CID: 706970 IUPAC Name: 1,3-bis(4-methoxyphenyl)thiourea SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC
| PubChem CID | 706970 |
|---|---|
| CAS | 1227-45-8 |
| Molecular Weight (g/mol) | 288.365 |
| MDL Number | MFCD00025792 |
| SMILES | COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC |
| IUPAC Name | 1,3-bis(4-methoxyphenyl)thiourea |
| InChI Key | RGRJEERVXALLTH-UHFFFAOYSA-N |
| Molecular Formula | C15H16N2O2S |
2,3,6-Trifluorobenzoic Acid 98.0+%, TCI America™
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CAS: 2358-29-4 Molecular Formula: C7H2F3O2 Molecular Weight (g/mol): 175.09 MDL Number: MFCD00002409 InChI Key: MGUPHQGQNHDGNK-UHFFFAOYSA-M Synonym: 2,5,6-trifluorobenzoic acid,2,3,6-trifluorobenzoicacid,2,3,6-trifluoro-benzoic acid,benzoic acid, 2,3,6-trifluoro,pubchem1344,intermediates-zcf02628,ksc494k2n,2,3,6-trifluoro benzoic acid,rarechem al bo 0267,2,3,6-trifluorobenzoic acid PubChem CID: 520062 IUPAC Name: 2,3,6-trifluorobenzoate SMILES: [O-]C(=O)C1=C(F)C=CC(F)=C1F
| PubChem CID | 520062 |
|---|---|
| CAS | 2358-29-4 |
| Molecular Weight (g/mol) | 175.09 |
| MDL Number | MFCD00002409 |
| SMILES | [O-]C(=O)C1=C(F)C=CC(F)=C1F |
| Synonym | 2,5,6-trifluorobenzoic acid,2,3,6-trifluorobenzoicacid,2,3,6-trifluoro-benzoic acid,benzoic acid, 2,3,6-trifluoro,pubchem1344,intermediates-zcf02628,ksc494k2n,2,3,6-trifluoro benzoic acid,rarechem al bo 0267,2,3,6-trifluorobenzoic acid |
| IUPAC Name | 2,3,6-trifluorobenzoate |
| InChI Key | MGUPHQGQNHDGNK-UHFFFAOYSA-M |
| Molecular Formula | C7H2F3O2 |
Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nepsilon-tetradecanoyl-L-lysine 98.0+%, TCI America™
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CAS: 1128181-23-6 Molecular Formula: C35H50N2O5 Molecular Weight (g/mol): 578.794 InChI Key: PNXSYZSEFDFTDZ-YTTGMZPUSA-N Synonym: Nalpha-Fmoc-Nepsilon-tetradecanoyl-L-lysine, Fmoc-Lys(myristoyl)-OH, Fmoc-Lys(Myr)-OH PubChem CID: 25231984 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid SMILES: CCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
| PubChem CID | 25231984 |
|---|---|
| CAS | 1128181-23-6 |
| Molecular Weight (g/mol) | 578.794 |
| SMILES | CCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| Synonym | Nalpha-Fmoc-Nepsilon-tetradecanoyl-L-lysine, Fmoc-Lys(myristoyl)-OH, Fmoc-Lys(Myr)-OH |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid |
| InChI Key | PNXSYZSEFDFTDZ-YTTGMZPUSA-N |
| Molecular Formula | C35H50N2O5 |
Methyl 4-Methyl-3-nitrobenzoate 98.0+%, TCI America™
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CAS: 7356-11-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00130054 InChI Key: YFPBHPCMYFCRKS-UHFFFAOYSA-N Synonym: methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene PubChem CID: 81816 IUPAC Name: methyl 4-methyl-3-nitrobenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 81816 |
|---|---|
| CAS | 7356-11-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00130054 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene |
| IUPAC Name | methyl 4-methyl-3-nitrobenzoate |
| InChI Key | YFPBHPCMYFCRKS-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 32333-53-2 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00024882 InChI Key: SSULGNXFUGLULI-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori PubChem CID: 2780719 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
| PubChem CID | 2780719 |
|---|---|
| CAS | 32333-53-2 |
| Molecular Weight (g/mol) | 279.054 |
| MDL Number | MFCD00024882 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl |
| Synonym | 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride |
| InChI Key | SSULGNXFUGLULI-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3O2S |
4-Nitrobenzenesulfonamide 98.0+%, TCI America™
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CAS: 6325-93-5 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007937 InChI Key: QWKKYJLAUWFPDB-UHFFFAOYSA-N Synonym: benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide PubChem CID: 22784 IUPAC Name: 4-nitrobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 22784 |
|---|---|
| CAS | 6325-93-5 |
| Molecular Weight (g/mol) | 202.18 |
| MDL Number | MFCD00007937 |
| SMILES | NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide |
| IUPAC Name | 4-nitrobenzene-1-sulfonamide |
| InChI Key | QWKKYJLAUWFPDB-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O4S |
Tribromomethyl Phenyl Sulfone 97.0+%, TCI America™
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CAS: 17025-47-7 Molecular Formula: C7H5Br3O2S Molecular Weight (g/mol): 392.887 MDL Number: MFCD00060068 InChI Key: DWWMSEANWMWMCB-UHFFFAOYSA-N Synonym: Phenyl Tribromomethyl Sulfone PubChem CID: 86912 IUPAC Name: tribromomethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br
| PubChem CID | 86912 |
|---|---|
| CAS | 17025-47-7 |
| Molecular Weight (g/mol) | 392.887 |
| MDL Number | MFCD00060068 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br |
| Synonym | Phenyl Tribromomethyl Sulfone |
| IUPAC Name | tribromomethylsulfonylbenzene |
| InChI Key | DWWMSEANWMWMCB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3O2S |
2,4-Dichlorobenzyl Bromide 98.0+%, TCI America™
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CAS: 20443-99-6 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.92 MDL Number: MFCD03208523 InChI Key: RGLQSFFFIREZFV-UHFFFAOYSA-N PubChem CID: 10988373 IUPAC Name: 1-(bromomethyl)-2,4-dichlorobenzene SMILES: ClC1=CC(Cl)=C(CBr)C=C1
| PubChem CID | 10988373 |
|---|---|
| CAS | 20443-99-6 |
| Molecular Weight (g/mol) | 239.92 |
| MDL Number | MFCD03208523 |
| SMILES | ClC1=CC(Cl)=C(CBr)C=C1 |
| IUPAC Name | 1-(bromomethyl)-2,4-dichlorobenzene |
| InChI Key | RGLQSFFFIREZFV-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |
5-Fluoro-2-nitrobenzaldehyde 98.0+%, TCI America™
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CAS: 395-81-3 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD00153175 InChI Key: KKAFVHUJZPVWND-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t PubChem CID: 587090 IUPAC Name: 5-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(F)C=C1C=O
| PubChem CID | 587090 |
|---|---|
| CAS | 395-81-3 |
| Molecular Weight (g/mol) | 169.11 |
| MDL Number | MFCD00153175 |
| SMILES | [O-][N+](=O)C1=CC=C(F)C=C1C=O |
| Synonym | 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t |
| IUPAC Name | 5-fluoro-2-nitrobenzaldehyde |
| InChI Key | KKAFVHUJZPVWND-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
Methyl 2,5-Dibromobenzoate 98.0+%, TCI America™
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CAS: 57381-43-8 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.942 MDL Number: MFCD00144757 InChI Key: RBCUIRIGTNHLPS-UHFFFAOYSA-N Synonym: 2,5-dibromobenzoic acid methyl ester,benzoic acid, 2,5-dibromo-, methyl ester,pubchem3972,acmc-1aybl,#,methyl 2,5-bis bromanyl benzoate,methyl 2,5-dibromobenzoate,benzoic acid,2,5-dibromo-, methyl ester,3,5-diamino-2-methyl benzoic acid PubChem CID: 554523 IUPAC Name: methyl 2,5-dibromobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Br)Br
| PubChem CID | 554523 |
|---|---|
| CAS | 57381-43-8 |
| Molecular Weight (g/mol) | 293.942 |
| MDL Number | MFCD00144757 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)Br |
| Synonym | 2,5-dibromobenzoic acid methyl ester,benzoic acid, 2,5-dibromo-, methyl ester,pubchem3972,acmc-1aybl,#,methyl 2,5-bis bromanyl benzoate,methyl 2,5-dibromobenzoate,benzoic acid,2,5-dibromo-, methyl ester,3,5-diamino-2-methyl benzoic acid |
| IUPAC Name | methyl 2,5-dibromobenzoate |
| InChI Key | RBCUIRIGTNHLPS-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |
Methyl 3-Hydroxyphenylacetate 98.0+%, TCI America™
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CAS: 42058-59-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00017660 InChI Key: AMDDOQIUPAINLH-UHFFFAOYSA-N Synonym: 3-Hydroxyphenylacetic Acid Methyl Ester PubChem CID: 39129 IUPAC Name: methyl 2-(3-hydroxyphenyl)acetate SMILES: COC(=O)CC1=CC(=CC=C1)O
| PubChem CID | 39129 |
|---|---|
| CAS | 42058-59-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00017660 |
| SMILES | COC(=O)CC1=CC(=CC=C1)O |
| Synonym | 3-Hydroxyphenylacetic Acid Methyl Ester |
| IUPAC Name | methyl 2-(3-hydroxyphenyl)acetate |
| InChI Key | AMDDOQIUPAINLH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |