Benzenoids
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Benzyl alcohol, For ACS analysis, Reagent grade, 99%, MP Biomedicals™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
2,6-Dimethoxybenzoic acid, 99%
CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O
| PubChem CID | 15109 |
|---|---|
| CAS | 1466-76-8 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002437 |
| SMILES | COC1=CC=CC(OC)=C1C(O)=O |
| Synonym | benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 |
| IUPAC Name | 2,6-dimethoxybenzoic acid |
| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Methyl pentafluorobenzoate, 99%
CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 606853 |
|---|---|
| CAS | 36629-42-2 |
| Molecular Weight (g/mol) | 226.10 |
| MDL Number | MFCD00012172 |
| SMILES | COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester |
| IUPAC Name | methyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | UXJRQNXHCZKHRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
(Bromomethyl)triphenylphosphonium bromide, 98%
CAS: 1034-49-7 Molecular Formula: C19H17Br2P Molecular Weight (g/mol): 436.13 MDL Number: MFCD00011864 InChI Key: YFTMLUSIDVFTKU-UHFFFAOYSA-M Synonym: bromomethyl triphenylphosphonium bromide,bromomethyltriphenylphosphonium bromide,bromomethyl triphenylphosphoniumbromide,phosphonium, bromomethyl triphenyl-, bromide,bromomethyl triphenylphosphanium bromide,zlchem 395,bromomethyltriphenyl phosphonium bromide,bromomethyl triphenylphosphonium,bromomethyl triphenyl phosphanium bromide PubChem CID: 2733422 IUPAC Name: bromomethyl(triphenyl)phosphanium;bromide SMILES: [Br-].BrC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2733422 |
|---|---|
| CAS | 1034-49-7 |
| Molecular Weight (g/mol) | 436.13 |
| MDL Number | MFCD00011864 |
| SMILES | [Br-].BrC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | bromomethyl triphenylphosphonium bromide,bromomethyltriphenylphosphonium bromide,bromomethyl triphenylphosphoniumbromide,phosphonium, bromomethyl triphenyl-, bromide,bromomethyl triphenylphosphanium bromide,zlchem 395,bromomethyltriphenyl phosphonium bromide,bromomethyl triphenylphosphonium,bromomethyl triphenyl phosphanium bromide |
| IUPAC Name | bromomethyl(triphenyl)phosphanium;bromide |
| InChI Key | YFTMLUSIDVFTKU-UHFFFAOYSA-M |
| Molecular Formula | C19H17Br2P |
4-Methoxy-N-phenylbenzamide, 97%
CAS: 7465-88-5 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.26 MDL Number: MFCD00025810 InChI Key: XOJAJRFBOKCXPI-UHFFFAOYSA-N Synonym: 4-methoxy-n-phenyl-benzamide,n-phenyl-4-methoxybenzamide,anisanilid,p-anisanilide,4-methoxyphenyl-n-benzamide,benzamide, 4-methoxy-n-phenyl PubChem CID: 346037 IUPAC Name: 4-methoxy-N-phenylbenzamide SMILES: COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1
| PubChem CID | 346037 |
|---|---|
| CAS | 7465-88-5 |
| Molecular Weight (g/mol) | 227.26 |
| MDL Number | MFCD00025810 |
| SMILES | COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1 |
| Synonym | 4-methoxy-n-phenyl-benzamide,n-phenyl-4-methoxybenzamide,anisanilid,p-anisanilide,4-methoxyphenyl-n-benzamide,benzamide, 4-methoxy-n-phenyl |
| IUPAC Name | 4-methoxy-N-phenylbenzamide |
| InChI Key | XOJAJRFBOKCXPI-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO2 |
2-Amino-6-chlorobenzoic acid, 97+%
CAS: 2148-56-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00051530 InChI Key: SZCPTRGBOVXVCA-UHFFFAOYSA-N Synonym: 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b PubChem CID: 75071 IUPAC Name: 2-amino-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)N
| PubChem CID | 75071 |
|---|---|
| CAS | 2148-56-3 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00051530 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)N |
| Synonym | 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b |
| IUPAC Name | 2-amino-6-chlorobenzoic acid |
| InChI Key | SZCPTRGBOVXVCA-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-(Trifluoromethyl)phenyl isothiocyanate, 98%
CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039644 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S
| PubChem CID | 737162 |
|---|---|
| CAS | 1743-86-8 |
| Molecular Weight (g/mol) | 203.182 |
| MDL Number | MFCD00039644 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N=C=S |
| Synonym | 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester |
| IUPAC Name | 1-isothiocyanato-2-(trifluoromethyl)benzene |
| InChI Key | FCEKLQPJGXIQRY-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NS |
4-Methoxy-2-nitroaniline, 97%
CAS: 96-96-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
| PubChem CID | 66793 |
|---|---|
| CAS | 96-96-8 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:48973 |
| MDL Number | MFCD00007152 |
| SMILES | COC1=CC(=C(C=C1)N)[N+](=O)[O-] |
| Synonym | 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt |
| IUPAC Name | 4-methoxy-2-nitroaniline |
| InChI Key | QFMJFXFXQAFGBO-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
Sodium 4-aminosalicylate dihydrate, 98%
CAS: 6018-19-5 Molecular Formula: C7H10NNaO5 Molecular Weight (g/mol): 211.149 MDL Number: MFCD00151044 InChI Key: GMUQJDAYXZXBOT-UHFFFAOYSA-M Synonym: sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp PubChem CID: 16211148 IUPAC Name: sodium;4-amino-2-hydroxybenzoate;dihydrate SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]
| PubChem CID | 16211148 |
|---|---|
| CAS | 6018-19-5 |
| Molecular Weight (g/mol) | 211.149 |
| MDL Number | MFCD00151044 |
| SMILES | C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+] |
| Synonym | sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp |
| IUPAC Name | sodium;4-amino-2-hydroxybenzoate;dihydrate |
| InChI Key | GMUQJDAYXZXBOT-UHFFFAOYSA-M |
| Molecular Formula | C7H10NNaO5 |
Acetaminophen, Powder, USP, 98-102%, Spectrum™ Chemical
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CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1
| CAS | 103-90-2 |
|---|---|
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00002328 |
| SMILES | CC(=O)NC1=CC=C(O)C=C1 |
| IUPAC Name | N-(4-hydroxyphenyl)acetamide |
| InChI Key | RZVAJINKPMORJF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Tris(3-methoxyphenyl)phosphine, 98%
CAS: 29949-84-6 Molecular Formula: C21H21O3P Molecular Weight (g/mol): 352.37 MDL Number: MFCD00008386 InChI Key: CCXTYQMZVYIQRP-UHFFFAOYSA-N Synonym: tris 3-methoxyphenyl phosphine,tris 3-methoxyphenyl phosphane,tris m-methoxyphenyl phosphine,phosphine, tris 3-methoxyphenyl,ksc207e8l,tri m-anisyl phosphine,tris m-anisyl phosphine,phosphine,tris 3-methoxyphenyl,tris-3-methoxy-phenyl-phosphane,phosphine,tris 3-methoxybenzyl PubChem CID: 141534 IUPAC Name: tris(3-methoxyphenyl)phosphane SMILES: COC1=CC(=CC=C1)P(C1=CC(OC)=CC=C1)C1=CC=CC(OC)=C1
| PubChem CID | 141534 |
|---|---|
| CAS | 29949-84-6 |
| Molecular Weight (g/mol) | 352.37 |
| MDL Number | MFCD00008386 |
| SMILES | COC1=CC(=CC=C1)P(C1=CC(OC)=CC=C1)C1=CC=CC(OC)=C1 |
| Synonym | tris 3-methoxyphenyl phosphine,tris 3-methoxyphenyl phosphane,tris m-methoxyphenyl phosphine,phosphine, tris 3-methoxyphenyl,ksc207e8l,tri m-anisyl phosphine,tris m-anisyl phosphine,phosphine,tris 3-methoxyphenyl,tris-3-methoxy-phenyl-phosphane,phosphine,tris 3-methoxybenzyl |
| IUPAC Name | tris(3-methoxyphenyl)phosphane |
| InChI Key | CCXTYQMZVYIQRP-UHFFFAOYSA-N |
| Molecular Formula | C21H21O3P |
2-Hydroxy-1-(2-hydroxy-4-sulfo-1-naphthylazo)-3-naphthoic acid, MP Biomedicals™
CAS: 3737-95-9 Molecular Formula: C21H14N2O7S Molecular Weight (g/mol): 438.41 InChI Key: ULIVOAKVRBXKKS-PYCFMQQDSA-N Synonym: calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn PubChem CID: 5895210 IUPAC Name: 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
| PubChem CID | 5895210 |
|---|---|
| CAS | 3737-95-9 |
| Molecular Weight (g/mol) | 438.41 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O |
| Synonym | calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn |
| IUPAC Name | 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid |
| InChI Key | ULIVOAKVRBXKKS-PYCFMQQDSA-N |
| Molecular Formula | C21H14N2O7S |
4-Amino-3-methylphenol, 98%
CAS: 2835-99-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007871 InChI Key: QGNGOGOOPUYKMC-UHFFFAOYSA-N Synonym: 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol PubChem CID: 17819 ChEBI: CHEBI:55546 IUPAC Name: 4-amino-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)N
| PubChem CID | 17819 |
|---|---|
| CAS | 2835-99-6 |
| Molecular Weight (g/mol) | 123.155 |
| ChEBI | CHEBI:55546 |
| MDL Number | MFCD00007871 |
| SMILES | CC1=C(C=CC(=C1)O)N |
| Synonym | 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol |
| IUPAC Name | 4-amino-3-methylphenol |
| InChI Key | QGNGOGOOPUYKMC-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate, 97%, Thermo Scientific™
CAS: 906352-99-6 Molecular Formula: C14H14N2O3 Molecular Weight (g/mol): 258.28 MDL Number: MFCD09702407 InChI Key: ALDBUDYDJSLBJO-UHFFFAOYSA-N Synonym: ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester PubChem CID: 24229683 IUPAC Name: ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate SMILES: CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1
| PubChem CID | 24229683 |
|---|---|
| CAS | 906352-99-6 |
| Molecular Weight (g/mol) | 258.28 |
| MDL Number | MFCD09702407 |
| SMILES | CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1 |
| Synonym | ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester |
| IUPAC Name | ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate |
| InChI Key | ALDBUDYDJSLBJO-UHFFFAOYSA-N |
| Molecular Formula | C14H14N2O3 |
Benzyl Alcohol, BAKER ANALYZED™ Reagent, J.T. Baker™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |