Benzenoids
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3-Methoxyphenol 98.0+%, TCI America™
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CAS: 150-19-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002267 InChI Key: ASHGTJPOSUFTGB-UHFFFAOYSA-N Synonym: m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol PubChem CID: 9007 ChEBI: CHEBI:52678 IUPAC Name: 3-methoxyphenol SMILES: COC1=CC=CC(=C1)O
| PubChem CID | 9007 |
|---|---|
| CAS | 150-19-6 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:52678 |
| MDL Number | MFCD00002267 |
| SMILES | COC1=CC=CC(=C1)O |
| Synonym | m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol |
| IUPAC Name | 3-methoxyphenol |
| InChI Key | ASHGTJPOSUFTGB-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
4-Methyl-3-nitrobenzyl Alcohol 96.0+%, TCI America™
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CAS: 40870-59-5 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007177 InChI Key: URCWIFSXDARYLY-UHFFFAOYSA-N PubChem CID: 123497 IUPAC Name: (4-methyl-3-nitrophenyl)methanol SMILES: CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
| PubChem CID | 123497 |
|---|---|
| CAS | 40870-59-5 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00007177 |
| SMILES | CC1=C(C=C(C=C1)CO)[N+](=O)[O-] |
| IUPAC Name | (4-methyl-3-nitrophenyl)methanol |
| InChI Key | URCWIFSXDARYLY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Catechol 99.0+%, TCI America™
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CAS: 120-80-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002188 InChI Key: YCIMNLLNPGFGHC-UHFFFAOYSA-N Synonym: pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene PubChem CID: 289 ChEBI: CHEBI:18135 IUPAC Name: benzene-1,2-diol SMILES: OC1=CC=CC=C1O
| PubChem CID | 289 |
|---|---|
| CAS | 120-80-9 |
| Molecular Weight (g/mol) | 110.11 |
| ChEBI | CHEBI:18135 |
| MDL Number | MFCD00002188 |
| SMILES | OC1=CC=CC=C1O |
| Synonym | pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene |
| IUPAC Name | benzene-1,2-diol |
| InChI Key | YCIMNLLNPGFGHC-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
(tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide 98.0+%, TCI America™
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CAS: 59159-39-6 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00075527 InChI Key: ZGLFRTJDWWKIAK-UHFFFAOYSA-M Synonym: tert-butoxycarbonylmethyl triphenylphosphonium bromide,tert-butoxycarbonylmethyl triphenylphosphanium bromide,2-tert-butoxy-2-oxoethyl triphenylphosphonium bromide,phosphonium, 2-1,1-dimethylethoxy-2-oxoethyl triphenyl-, bromide,2-tert-butoxy-2-oxoethyl triphenylphosphanium bromide,acmc-20apek,ksc609k1l,carbo-t-butoxymethyl triphenylphosphonium bromide,tert-butoxy carbonyl methyl triphenyl phosphoniu PubChem CID: 2733853 IUPAC Name: [2-(tert-butoxy)-2-oxoethyl]triphenylphosphanium bromide SMILES: [Br-].CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2733853 |
|---|---|
| CAS | 59159-39-6 |
| Molecular Weight (g/mol) | 457.35 |
| MDL Number | MFCD00075527 |
| SMILES | [Br-].CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tert-butoxycarbonylmethyl triphenylphosphonium bromide,tert-butoxycarbonylmethyl triphenylphosphanium bromide,2-tert-butoxy-2-oxoethyl triphenylphosphonium bromide,phosphonium, 2-1,1-dimethylethoxy-2-oxoethyl triphenyl-, bromide,2-tert-butoxy-2-oxoethyl triphenylphosphanium bromide,acmc-20apek,ksc609k1l,carbo-t-butoxymethyl triphenylphosphonium bromide,tert-butoxy carbonyl methyl triphenyl phosphoniu |
| IUPAC Name | [2-(tert-butoxy)-2-oxoethyl]triphenylphosphanium bromide |
| InChI Key | ZGLFRTJDWWKIAK-UHFFFAOYSA-M |
| Molecular Formula | C24H26BrO2P |
Trimethylhydroquinone 98.0+%, TCI America™
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CAS: 700-13-0 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00002346 InChI Key: AUFZRCJENRSRLY-UHFFFAOYSA-N Synonym: trimethylhydroquinone,2,3,5-trimethylhydroquinone,1,4-benzenediol, 2,3,5-trimethyl,pseudocumohydroquinone,psi-cumohydroquinone,2,3,6-trimethylhydroquinone,2,3,5-trimethyl-benzene-1,4-diol,hydroquinone, trimethyl,2,3,5-trimethyl-1,4-benzenediol,.psi.-cumohydroquinone PubChem CID: 12785 IUPAC Name: 2,3,5-trimethylbenzene-1,4-diol SMILES: CC1=CC(=C(C(=C1O)C)C)O
| PubChem CID | 12785 |
|---|---|
| CAS | 700-13-0 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00002346 |
| SMILES | CC1=CC(=C(C(=C1O)C)C)O |
| Synonym | trimethylhydroquinone,2,3,5-trimethylhydroquinone,1,4-benzenediol, 2,3,5-trimethyl,pseudocumohydroquinone,psi-cumohydroquinone,2,3,6-trimethylhydroquinone,2,3,5-trimethyl-benzene-1,4-diol,hydroquinone, trimethyl,2,3,5-trimethyl-1,4-benzenediol,.psi.-cumohydroquinone |
| IUPAC Name | 2,3,5-trimethylbenzene-1,4-diol |
| InChI Key | AUFZRCJENRSRLY-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
4-Chlorobenzyl Alcohol 99.0+%, TCI America™
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CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl
| PubChem CID | 13397 |
|---|---|
| CAS | 873-76-7 |
| Molecular Weight (g/mol) | 142.582 |
| MDL Number | MFCD00004652 |
| SMILES | C1=CC(=CC=C1CO)Cl |
| Synonym | 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 |
| IUPAC Name | (4-chlorophenyl)methanol |
| InChI Key | PTHGDVCPCZKZKR-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
N,N-Dimethyl-o-toluidine 99.0+%, TCI America™
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CAS: 609-72-3 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00035789 InChI Key: JDEJGVSZUIJWBM-UHFFFAOYSA-N Synonym: n,n-dimethyl-o-toluidine,dimethyl-o-toluidine,o-methyldimethylaniline,benzenamine, n,n,2-trimethyl,o-toluidine, n,n-dimethyl,2-methyl-n,n-dimethylaniline,n,n-dimethyl-2-methylaniline,benzene, 1-dimethylamino-2-methyl,n,n,2-trimethylbenzamine,n,n,2-trimethylbenzenamine PubChem CID: 11869 IUPAC Name: N,N,2-trimethylaniline SMILES: CN(C)C1=CC=CC=C1C
| PubChem CID | 11869 |
|---|---|
| CAS | 609-72-3 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00035789 |
| SMILES | CN(C)C1=CC=CC=C1C |
| Synonym | n,n-dimethyl-o-toluidine,dimethyl-o-toluidine,o-methyldimethylaniline,benzenamine, n,n,2-trimethyl,o-toluidine, n,n-dimethyl,2-methyl-n,n-dimethylaniline,n,n-dimethyl-2-methylaniline,benzene, 1-dimethylamino-2-methyl,n,n,2-trimethylbenzamine,n,n,2-trimethylbenzenamine |
| IUPAC Name | N,N,2-trimethylaniline |
| InChI Key | JDEJGVSZUIJWBM-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1F)(O)O |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl |
| TSCA | No |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 110°C |
2-Amino-5-nitrobenzophenone 98.0+%, TCI America™
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CAS: 1775-95-7 Molecular Formula: C13H10N2O3 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00007364 InChI Key: PZPZDEIASIKHPY-UHFFFAOYSA-N Synonym: 2-amino-5-nitrobenzophenone,2-amino-5-nitrophenyl phenyl methanone,methanone, 2-amino-5-nitrophenyl phenyl,2-amino-5-nitrophenyl phenylmethanone,2-amino-5-nitrophenyl-phenylmethanone,2-benzoyl-4-nitroaniline,5-nitro-2-aminobenzophenone,2-amino-5-nitro-phenyl-phenyl-methanone,2-amino-5-nitrophenyl phenyl ketone,pubchem3254 PubChem CID: 15681 IUPAC Name: 2-benzoyl-4-nitroaniline SMILES: NC1=CC=C(C=C1C(=O)C1=CC=CC=C1)[N+]([O-])=O
| PubChem CID | 15681 |
|---|---|
| CAS | 1775-95-7 |
| Molecular Weight (g/mol) | 242.23 |
| MDL Number | MFCD00007364 |
| SMILES | NC1=CC=C(C=C1C(=O)C1=CC=CC=C1)[N+]([O-])=O |
| Synonym | 2-amino-5-nitrobenzophenone,2-amino-5-nitrophenyl phenyl methanone,methanone, 2-amino-5-nitrophenyl phenyl,2-amino-5-nitrophenyl phenylmethanone,2-amino-5-nitrophenyl-phenylmethanone,2-benzoyl-4-nitroaniline,5-nitro-2-aminobenzophenone,2-amino-5-nitro-phenyl-phenyl-methanone,2-amino-5-nitrophenyl phenyl ketone,pubchem3254 |
| IUPAC Name | 2-benzoyl-4-nitroaniline |
| InChI Key | PZPZDEIASIKHPY-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O3 |
4-(Trifluoromethylthio)benzylamine 97.0+%, TCI America™
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CAS: 128273-56-3 Molecular Formula: C8H8F3NS Molecular Weight (g/mol): 207.214 MDL Number: MFCD00190129 InChI Key: LACURGWEZCFLBO-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzylamine,4-trifluoromethyl thio phenyl methanamine,4-trifluoromethylsulfanyl phenyl methanamine,4-trifluoromethyl sulfanyl phenyl methanamine,1-4-trifluoromethyl thio phenyl methanamine,1-4-trifluoromethyl sulfanyl phenyl methanamine,acmc-1chvc,rarechem al bw 0450,4-trifluomethylthio benzylamine PubChem CID: 2777875 IUPAC Name: [4-(trifluoromethylsulfanyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)SC(F)(F)F
| PubChem CID | 2777875 |
|---|---|
| CAS | 128273-56-3 |
| Molecular Weight (g/mol) | 207.214 |
| MDL Number | MFCD00190129 |
| SMILES | C1=CC(=CC=C1CN)SC(F)(F)F |
| Synonym | 4-trifluoromethylthio benzylamine,4-trifluoromethyl thio phenyl methanamine,4-trifluoromethylsulfanyl phenyl methanamine,4-trifluoromethyl sulfanyl phenyl methanamine,1-4-trifluoromethyl thio phenyl methanamine,1-4-trifluoromethyl sulfanyl phenyl methanamine,acmc-1chvc,rarechem al bw 0450,4-trifluomethylthio benzylamine |
| IUPAC Name | [4-(trifluoromethylsulfanyl)phenyl]methanamine |
| InChI Key | LACURGWEZCFLBO-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3NS |
3-Hydroxy-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 603-80-5 Molecular Formula: C8H7O3 Molecular Weight (g/mol): 151.14 MDL Number: MFCD00671541 InChI Key: RIERSGULWXEJKL-UHFFFAOYSA-M Synonym: 3-hydroxy-o-toluic acid,3-hydroxy-2-methyl benzoic acid,3-hydroxy-2-methyl-benzoic acid,2-methyl-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2-methyl,kresolsaure,3,2-cresotic acid,pubchem15694,3-carboxy-2-methylphenol,acmc-1b1jy PubChem CID: 252023 IUPAC Name: 3-hydroxy-2-methylbenzoate SMILES: CC1=C(O)C=CC=C1C([O-])=O
| PubChem CID | 252023 |
|---|---|
| CAS | 603-80-5 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD00671541 |
| SMILES | CC1=C(O)C=CC=C1C([O-])=O |
| Synonym | 3-hydroxy-o-toluic acid,3-hydroxy-2-methyl benzoic acid,3-hydroxy-2-methyl-benzoic acid,2-methyl-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2-methyl,kresolsaure,3,2-cresotic acid,pubchem15694,3-carboxy-2-methylphenol,acmc-1b1jy |
| IUPAC Name | 3-hydroxy-2-methylbenzoate |
| InChI Key | RIERSGULWXEJKL-UHFFFAOYSA-M |
| Molecular Formula | C8H7O3 |
2-Chloro-4-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 21971-21-1 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00085943 InChI Key: IBANGHTVBPZCHF-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-benzoic acid,2-chloro-4-methyloxy benzoic acid,benzoic acid, 2-chloro-4-methoxy,2-chloro-4-methoxybenzoicacid,2-chloranissaure,pubchem14030,2-chloro-p-anisic acid,ksc494q0b,4-methoxy-2-chloro-benzoic acid PubChem CID: 12648026 IUPAC Name: 2-chloro-4-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)Cl
| PubChem CID | 12648026 |
|---|---|
| CAS | 21971-21-1 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00085943 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)Cl |
| Synonym | 2-chloro-4-methoxy-benzoic acid,2-chloro-4-methyloxy benzoic acid,benzoic acid, 2-chloro-4-methoxy,2-chloro-4-methoxybenzoicacid,2-chloranissaure,pubchem14030,2-chloro-p-anisic acid,ksc494q0b,4-methoxy-2-chloro-benzoic acid |
| IUPAC Name | 2-chloro-4-methoxybenzoic acid |
| InChI Key | IBANGHTVBPZCHF-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
3-Bromobenzyl Alcohol 98.0+%, TCI America™
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CAS: 15852-73-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00004629 InChI Key: FSWNRRSWFBXQCL-UHFFFAOYSA-N Synonym: 3-bromobenzyl alcohol,3-bromophenyl methanol,m-bromobenzyl alcohol,benzenemethanol, 3-bromo,3-bromobenzylalcohol,3-bromophenyl methan-1-ol,3-bromo-benzenemethanol,m-bromobenzylalcohol,3-bromo benzylalcohol,pubchem3747 PubChem CID: 85141 IUPAC Name: (3-bromophenyl)methanol SMILES: C1=CC(=CC(=C1)Br)CO
| PubChem CID | 85141 |
|---|---|
| CAS | 15852-73-0 |
| Molecular Weight (g/mol) | 187.036 |
| MDL Number | MFCD00004629 |
| SMILES | C1=CC(=CC(=C1)Br)CO |
| Synonym | 3-bromobenzyl alcohol,3-bromophenyl methanol,m-bromobenzyl alcohol,benzenemethanol, 3-bromo,3-bromobenzylalcohol,3-bromophenyl methan-1-ol,3-bromo-benzenemethanol,m-bromobenzylalcohol,3-bromo benzylalcohol,pubchem3747 |
| IUPAC Name | (3-bromophenyl)methanol |
| InChI Key | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
3,4-Dimethoxybenzyl Cyanide 98.0+%, TCI America™
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CAS: 93-17-4 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00001911 InChI Key: ASLSUMISAQDOOB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile PubChem CID: 66727 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile SMILES: COC1=C(C=C(C=C1)CC#N)OC
| PubChem CID | 66727 |
|---|---|
| CAS | 93-17-4 |
| Molecular Weight (g/mol) | 177.203 |
| MDL Number | MFCD00001911 |
| SMILES | COC1=C(C=C(C=C1)CC#N)OC |
| Synonym | 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)acetonitrile |
| InChI Key | ASLSUMISAQDOOB-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
2'-Hydroxy-5'-methylacetanilide 98.0+%, TCI America™
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CAS: 6375-17-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00020183 InChI Key: DSEQJUPGRWESKP-UHFFFAOYSA-N Synonym: 2-acetamido-4-methylphenol,2-hydroxy-5-methylacetanilide,n-2-hydroxy-5-methylphenyl acetamide,2'-hydroxy-5'-methylacetanilide,acetamide, n-2-hydroxy-5-methylphenyl,2-acetamido-4-cresol,n1-2-hydroxy-5-methylphenyl acetamide,2-acetamido-p-cresol,6'-hydroxy-m-acetotoluidide,n-2-hydroxy-5-methyl-phenyl acetamide PubChem CID: 292583 IUPAC Name: N-(2-hydroxy-5-methylphenyl)acetamide SMILES: CC(=O)NC1=CC(C)=CC=C1O
| PubChem CID | 292583 |
|---|---|
| CAS | 6375-17-3 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00020183 |
| SMILES | CC(=O)NC1=CC(C)=CC=C1O |
| Synonym | 2-acetamido-4-methylphenol,2-hydroxy-5-methylacetanilide,n-2-hydroxy-5-methylphenyl acetamide,2'-hydroxy-5'-methylacetanilide,acetamide, n-2-hydroxy-5-methylphenyl,2-acetamido-4-cresol,n1-2-hydroxy-5-methylphenyl acetamide,2-acetamido-p-cresol,6'-hydroxy-m-acetotoluidide,n-2-hydroxy-5-methyl-phenyl acetamide |
| IUPAC Name | N-(2-hydroxy-5-methylphenyl)acetamide |
| InChI Key | DSEQJUPGRWESKP-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |