Benzeneacetic acid, 2-hydroxy-alpha-oxo-, methyl ester
Basic information
- CAS
34073-46-6- Standard SMILES
COC(=O)C(=O)c1ccccc1O- InChIKey
YXZAANSFGURKCL-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2-hydroxy-alpha-oxo-, methyl ester
- IUPAC
- methyl 2-(2-hydroxyphenyl)-2-oxoacetate
Names & synonyms
34073-46-6Methyl 2-(2-hydroxyphenyl)-2-oxo-acetateBenzeneacetic acid, 2-hydroxy-alpha-oxo-, methyl estermethyl 2-(2-hydroxyphenyl)-2-oxoacetateMethyl (2-hydroxyphenyl)glycoxylateSCHEMBL6747775Methyl 2-HydroxyphenylglyoxylateDTXSID30955630YXZAANSFGURKCL-UHFFFAOYSA-NMethyl (2-hydroxyphenyl)(oxo)acetate
Database identifiers
- CAS
34073-46-6- PubChem CID
- 182159
- DTXSID
DTXSID30955630
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
5 records
Compound notes
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