Basic information
- Standard SMILES
O=C(O)C(=O)CC(=O)c1ccccc1- InChIKey
JGKFWCXVYCDKDU-UHFFFAOYSA-N- Molecular formula
- C10H8O4
- Average molar mass
- 192.17 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,4-Dioxo-4-phenylbutanoic acid
- IUPAC
- 2,4-dioxo-4-phenylbutanoic acid
Names & synonyms
2,4-dioxo-4-phenylbutanoic acidDKA acidRefChem:9087755817-92-5MFCD004560542-4-Dioxo-4-Phenylbutanoic AcidCHEMBL193322,4-dioxo-4-phenyl-butanoic acidbenzenebutanoic acid, alpha,gamma-dioxo-benzoylpyruvic acidCBDivE_002217?,?-Dioxobenzenebutanoic acid
Show more names
SCHEMBL11096712,4-dioxo-4-phenylbutanoicacidJGKFWCXVYCDKDU-UHFFFAOYSA-NALBB-025921BDBM50115579SBB014905AKOS006274737FD133357
Database identifiers
- PubChem CID
- 493418
- ChEMBL
CHEMBL19332- Nikkaji
- J135.396I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Related reactions
2 records
Compound notes
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