Benzenoids
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2-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 745783-91-9 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.13 MDL Number: MFCD08533288 InChI Key: HBOSPPHIPGYHDI-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 PubChem CID: 2783281 IUPAC Name: 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate SMILES: FC(F)(F)C1=CC=CC=C1C(=O)C=O
| PubChem CID | 2783281 |
|---|---|
| CAS | 745783-91-9 |
| Molecular Weight (g/mol) | 202.13 |
| MDL Number | MFCD08533288 |
| SMILES | FC(F)(F)C1=CC=CC=C1C(=O)C=O |
| Synonym | 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 |
| IUPAC Name | 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate |
| InChI Key | HBOSPPHIPGYHDI-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3O2 |
5-tert-Butyl-2-methoxybenzeneboronic acid, 98+%, Thermo Scientific Chemicals
CAS: 128733-85-7 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.064 MDL Number: MFCD06201034 InChI Key: LXFOJKCQSAYVMF-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl PubChem CID: 14740579 IUPAC Name: (5-tert-butyl-2-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O
| PubChem CID | 14740579 |
|---|---|
| CAS | 128733-85-7 |
| Molecular Weight (g/mol) | 208.064 |
| MDL Number | MFCD06201034 |
| SMILES | B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O |
| Synonym | 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl |
| IUPAC Name | (5-tert-butyl-2-methoxyphenyl)boronic acid |
| InChI Key | LXFOJKCQSAYVMF-UHFFFAOYSA-N |
| Molecular Formula | C11H17BO3 |
4-Fluorophenylglyoxal hydrate, 98%, dry wt. basis
CAS: 403-32-7 Molecular Formula: C8H5FO2 Molecular Weight (g/mol): 152.12 MDL Number: MFCD01733156 InChI Key: IPWSCROFORAGJW-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl-2-oxoacetaldehyde,4-fluorophenylglyoxal,benzeneacetaldehyde, 4-fluoro-alpha-oxo,4-fluoro-phenyl-oxo-acetaldehyde,4-fluoro-alpha-oxobenzeneacetaldehyde,4-fluorophenyl oxo acetaldehyde,p-fluorophenylglyoxal,p-fluorophenyl glyoxal,4-fluorophenyl glyoxal,1-4-fluorophenyl glyoxal PubChem CID: 101249 IUPAC Name: 2-(4-fluorophenyl)-2-oxoacetaldehyde SMILES: FC1=CC=C(C=C1)C(=O)C=O
| PubChem CID | 101249 |
|---|---|
| CAS | 403-32-7 |
| Molecular Weight (g/mol) | 152.12 |
| MDL Number | MFCD01733156 |
| SMILES | FC1=CC=C(C=C1)C(=O)C=O |
| Synonym | 2-4-fluorophenyl-2-oxoacetaldehyde,4-fluorophenylglyoxal,benzeneacetaldehyde, 4-fluoro-alpha-oxo,4-fluoro-phenyl-oxo-acetaldehyde,4-fluoro-alpha-oxobenzeneacetaldehyde,4-fluorophenyl oxo acetaldehyde,p-fluorophenylglyoxal,p-fluorophenyl glyoxal,4-fluorophenyl glyoxal,1-4-fluorophenyl glyoxal |
| IUPAC Name | 2-(4-fluorophenyl)-2-oxoacetaldehyde |
| InChI Key | IPWSCROFORAGJW-UHFFFAOYSA-N |
| Molecular Formula | C8H5FO2 |
3-Methoxyphenylglyoxal hydrate, 97%, dry wt. basis, Thermo Scientific Chemicals
CAS: 32025-65-3 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD08533286 InChI Key: SIHYQEYAJMDKQH-UHFFFAOYSA-N Synonym: 3-methoxyphenylglyoxal hydrate,2-3-methoxyphenyl-2-oxoacetaldehyde hydrate,acmc-1c24s,bestipharma 555-843,3-methoxyphenylglyoxal monohydrate,ethanone,2,2-dihydroxy-1-3-methylphenyl,3-methoxyphenyl oxo acetaldehyde-water 1/1,2-3-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 21155397 IUPAC Name: 2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=CC(=C1)C(=O)C=O
| PubChem CID | 21155397 |
|---|---|
| CAS | 32025-65-3 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD08533286 |
| SMILES | COC1=CC=CC(=C1)C(=O)C=O |
| Synonym | 3-methoxyphenylglyoxal hydrate,2-3-methoxyphenyl-2-oxoacetaldehyde hydrate,acmc-1c24s,bestipharma 555-843,3-methoxyphenylglyoxal monohydrate,ethanone,2,2-dihydroxy-1-3-methylphenyl,3-methoxyphenyl oxo acetaldehyde-water 1/1,2-3-methoxyphenyl-2-oxidanylidene-ethanal hydrate |
| IUPAC Name | 2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate |
| InChI Key | SIHYQEYAJMDKQH-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
3,4-Difluorophenylglyoxal hydrate, 98%, dry wt. basis
CAS: 79784-34-2 Molecular Formula: C8H4F2O2 Molecular Weight (g/mol): 170.12 MDL Number: MFCD01733155 InChI Key: VZRYIZGMQICGSF-UHFFFAOYSA-N Synonym: 3,4-difluorophenylglyoxal hydrate,2-3,4-difluorophenyl-2-oxoacetaldehyde hydrate,pubchem12210,3,4-difluorophenylglyoxal monohydrate,3,4-difluorophenylglyoxalhydrate,benzeneacetaldehyde,3,4-difluoro-a-oxo,2-3,4-difluorophenyl-2-oxoethanal, hydrate PubChem CID: 2782289 IUPAC Name: 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate SMILES: FC1=CC=C(C=C1F)C(=O)C=O
| PubChem CID | 2782289 |
|---|---|
| CAS | 79784-34-2 |
| Molecular Weight (g/mol) | 170.12 |
| MDL Number | MFCD01733155 |
| SMILES | FC1=CC=C(C=C1F)C(=O)C=O |
| Synonym | 3,4-difluorophenylglyoxal hydrate,2-3,4-difluorophenyl-2-oxoacetaldehyde hydrate,pubchem12210,3,4-difluorophenylglyoxal monohydrate,3,4-difluorophenylglyoxalhydrate,benzeneacetaldehyde,3,4-difluoro-a-oxo,2-3,4-difluorophenyl-2-oxoethanal, hydrate |
| IUPAC Name | 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate |
| InChI Key | VZRYIZGMQICGSF-UHFFFAOYSA-N |
| Molecular Formula | C8H4F2O2 |
4-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 1736-56-7 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD05664098 InChI Key: BGOMXTCPIUNFKR-UHFFFAOYSA-N Synonym: 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione PubChem CID: 2783286 IUPAC Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F
| PubChem CID | 2783286 |
|---|---|
| CAS | 1736-56-7 |
| Molecular Weight (g/mol) | 202.132 |
| MDL Number | MFCD05664098 |
| SMILES | C1=CC(=CC=C1C(=O)C=O)C(F)(F)F |
| Synonym | 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione |
| IUPAC Name | 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde |
| InChI Key | BGOMXTCPIUNFKR-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3O2 |
2,4,6-Trimethylbenzoic acid, 99%
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
5-Bromo-2-chlorobenzoic acid, 98+%
CAS: 21739-92-4 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00002415 InChI Key: FGERXQWKKIVFQG-UHFFFAOYSA-N Synonym: 2-chloro-5-bromobenzoic acid,benzoic acid, 5-bromo-2-chloro,5-bromo-2-chlorobenzoicacid,5-bromo-2-chloro benzoic acid,5-bromo-2-chloro-benzoic acid,bromo 5--2-chlorobenzoic acid,pubchem3587,acmc-209fnm,5-bromo-2-chorobenzoic acid,ksc204k3r PubChem CID: 33127 IUPAC Name: 5-bromo-2-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)Cl
| PubChem CID | 33127 |
|---|---|
| CAS | 21739-92-4 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00002415 |
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)Cl |
| Synonym | 2-chloro-5-bromobenzoic acid,benzoic acid, 5-bromo-2-chloro,5-bromo-2-chlorobenzoicacid,5-bromo-2-chloro benzoic acid,5-bromo-2-chloro-benzoic acid,bromo 5--2-chlorobenzoic acid,pubchem3587,acmc-209fnm,5-bromo-2-chorobenzoic acid,ksc204k3r |
| IUPAC Name | 5-bromo-2-chlorobenzoic acid |
| InChI Key | FGERXQWKKIVFQG-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
1-Bromo-4-n-heptylbenzene, 97%, Thermo Scientific Chemicals
CAS: 76287-49-5 Molecular Formula: C13H19Br Molecular Weight (g/mol): 255.199 MDL Number: MFCD00061115 InChI Key: YHKMTIJHJWYYAG-UHFFFAOYSA-N Synonym: 1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b PubChem CID: 2775100 IUPAC Name: 1-bromo-4-heptylbenzene SMILES: CCCCCCCC1=CC=C(C=C1)Br
| PubChem CID | 2775100 |
|---|---|
| CAS | 76287-49-5 |
| Molecular Weight (g/mol) | 255.199 |
| MDL Number | MFCD00061115 |
| SMILES | CCCCCCCC1=CC=C(C=C1)Br |
| Synonym | 1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b |
| IUPAC Name | 1-bromo-4-heptylbenzene |
| InChI Key | YHKMTIJHJWYYAG-UHFFFAOYSA-N |
| Molecular Formula | C13H19Br |
3-Iodobenzotrifluoride, 98+%
CAS: 401-81-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001049 InChI Key: IGISPMBUGPHLBY-UHFFFAOYSA-N Synonym: 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene PubChem CID: 67868 IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)I)C(F)(F)F
| PubChem CID | 67868 |
|---|---|
| CAS | 401-81-0 |
| Molecular Weight (g/mol) | 272.009 |
| MDL Number | MFCD00001049 |
| SMILES | C1=CC(=CC(=C1)I)C(F)(F)F |
| Synonym | 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene |
| IUPAC Name | 1-iodo-3-(trifluoromethyl)benzene |
| InChI Key | IGISPMBUGPHLBY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3I |
p-Toluic hydrazide, 98%, Thermo Scientific Chemicals
CAS: 3619-22-5 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007607 InChI Key: MFFVZXOPRXMVET-UHFFFAOYSA-N Synonym: p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide PubChem CID: 77174 IUPAC Name: 4-methylbenzohydrazide SMILES: CC1=CC=C(C=C1)C(=O)NN
| PubChem CID | 77174 |
|---|---|
| CAS | 3619-22-5 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00007607 |
| SMILES | CC1=CC=C(C=C1)C(=O)NN |
| Synonym | p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide |
| IUPAC Name | 4-methylbenzohydrazide |
| InChI Key | MFFVZXOPRXMVET-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
Isopropyl 4-hydroxybenzoate, 98%
CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1
| PubChem CID | 20161 |
|---|---|
| CAS | 4191-73-5 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016468 |
| SMILES | CC(C)OC(=O)C1=CC=C(O)C=C1 |
| Synonym | isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester |
| IUPAC Name | propan-2-yl 4-hydroxybenzoate |
| InChI Key | CMHMMKSPYOOVGI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
3,4-Dibromotoluene, 98+%
CAS: 60956-23-2 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00079744 InChI Key: LDCPXNOCWDGYIU-UHFFFAOYSA-N Synonym: 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j PubChem CID: 34679 IUPAC Name: 1,2-dibromo-4-methylbenzene SMILES: CC1=CC(=C(C=C1)Br)Br
| PubChem CID | 34679 |
|---|---|
| CAS | 60956-23-2 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00079744 |
| SMILES | CC1=CC(=C(C=C1)Br)Br |
| Synonym | 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j |
| IUPAC Name | 1,2-dibromo-4-methylbenzene |
| InChI Key | LDCPXNOCWDGYIU-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
3-Bromobenzonitrile, 99%
CAS: 6952-59-6 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001796 InChI Key: STXAVEHFKAXGOX-UHFFFAOYSA-N Synonym: m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile PubChem CID: 23381 IUPAC Name: 3-bromobenzonitrile SMILES: BrC1=CC=CC(=C1)C#N
| PubChem CID | 23381 |
|---|---|
| CAS | 6952-59-6 |
| Molecular Weight (g/mol) | 182.02 |
| MDL Number | MFCD00001796 |
| SMILES | BrC1=CC=CC(=C1)C#N |
| Synonym | m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile |
| IUPAC Name | 3-bromobenzonitrile |
| InChI Key | STXAVEHFKAXGOX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN |
Sodium phenylpyruvate monohydrate, 98%
CAS: 122049-54-1 Molecular Formula: C9H7O3 Molecular Weight (g/mol): 163.15 MDL Number: MFCD00149109 InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-M Synonym: sodium phenylpyruvate monohydrate,sodium 2-oxo-3-phenylpropanoate hydrate,phenylpyruvic acid sodium salt monohydrate,phenylpyruvic acid, sodium salt,sodium hydrate ?-phenylpyruvate,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,acmc-2099lh,phenylpyruvic acid sodium hydrate,beta-phenylpyruvic acid, sodium salt PubChem CID: 23666336 IUPAC Name: sodium;2-oxo-3-phenylpropanoate;hydrate SMILES: [O-]C(=O)C(=O)CC1=CC=CC=C1
| PubChem CID | 23666336 |
|---|---|
| CAS | 122049-54-1 |
| Molecular Weight (g/mol) | 163.15 |
| MDL Number | MFCD00149109 |
| SMILES | [O-]C(=O)C(=O)CC1=CC=CC=C1 |
| Synonym | sodium phenylpyruvate monohydrate,sodium 2-oxo-3-phenylpropanoate hydrate,phenylpyruvic acid sodium salt monohydrate,phenylpyruvic acid, sodium salt,sodium hydrate ?-phenylpyruvate,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,acmc-2099lh,phenylpyruvic acid sodium hydrate,beta-phenylpyruvic acid, sodium salt |
| IUPAC Name | sodium;2-oxo-3-phenylpropanoate;hydrate |
| InChI Key | BTNMPGBKDVTSJY-UHFFFAOYSA-M |
| Molecular Formula | C9H7O3 |