Basic information
- Standard SMILES
CCC(=O)CC(=O)COCc1ccccc1- InChIKey
YUFUMAPFMNEKIG-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
Names & identifiers
- Preferred name
- Phenylmethoxy-2,4-hexandione
- IUPAC
- 1-phenylmethoxyhexane-2,4-dione
Names & synonyms
Phenylmethoxy-2,4-hexandioneSCHEMBL9152703YUFUMAPFMNEKIG-UHFFFAOYSA-N1-(Phenylmethoxy)-hexane-2,4-dione
Database identifiers
- PubChem CID
- 20093386
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
4 records
Compound notes
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