Basic information
- Standard SMILES
CC(C(=O)c1ccccc1)C(O)C(=O)O- InChIKey
GSOFGZXIGZWODS-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
Names & identifiers
- Preferred name
- 3-Benzoyl-2-hydroxy-3-methyl-propionic acid
- IUPAC
- 2-hydroxy-3-methyl-4-oxo-4-phenylbutanoic acid
Names & synonyms
SCHEMBL11559815GSOFGZXIGZWODS-UHFFFAOYSA-N3-benzoyl-2-hydroxy-3-methyl-propionic acid
Database identifiers
- PubChem CID
- 23243793
- Nikkaji
- J1.154.166F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
1 records
Compound notes
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