2-(2-Carboxylatoacetyl)benzoate
Basic information
- CAS
53266-48-1- Standard SMILES
O=C([O-])CC(=O)c1ccccc1C(=O)[O-]- InChIKey
UFTYDYPGWHGYKH-UHFFFAOYSA-L- Molecular formula
- C10H6O5-2
- Average molar mass
- 206.15 g/mol
- Monoisotopic mass
- 206.02152329
Names & identifiers
- Preferred name
- 2-(2-Carboxylatoacetyl)benzoate
- IUPAC
- 2-(2-carboxylatoacetyl)benzoate
- English name
- 2-(2-carboxylatoacetyl)benzoate
- Molecular formula
- C10H8O5
- Molecular weight
- 208.17
Names & synonyms
2-(2-CARBOXYLATOACETYL)BENZOATE53266-48-1Benzenepropanoic acid,2-carboxy-b-oxo-2-(Carboxylatoacetyl)benzoateDTXSID60426181DB-250559Benzenepropanoic acid, 2-carboxy-β-oxo-
Database identifiers
- CAS
53266-48-1- PubChem CID
- 6947432
- DTXSID
DTXSID60426181
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- -2
- Complexity
- 273
Chemistry & industry
Upstream & downstream products
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Compound notes
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