Basic information
- Standard SMILES
CC(=O)C(OC(=O)c1ccccc1)C(=O)C=CO- InChIKey
LKXZFSRMFOOOHU-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
Names & identifiers
- Preferred name
- 4-Benzoyloxy-1-hydroxy-1-hexene-3,5-dione
- IUPAC
- (6-hydroxy-2,4-dioxohex-5-en-3-yl) benzoate
Names & synonyms
SCHEMBL9721387LKXZFSRMFOOOHU-UHFFFAOYSA-N4-benzoyloxy-1-hydroxy-1-hexene-3,5-dione
Database identifiers
- PubChem CID
- 67914484
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
8 records
Compound notes
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