Basic information
- CAS
4728-02-3- Standard SMILES
CC(=O)C(C(C)=O)C(=O)c1ccccc1- InChIKey
OMACGPVPFPOWGY-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 3-Benzoylpentane-2,4-dione
- IUPAC
- 3-benzoylpentane-2,4-dione
Names & synonyms
3-benzoylpentane-2,4-dione4728-02-3NSC45006DiacetylbenzoylmethanSCHEMBL600051DTXSID80963785NSC-45006EN300-1126226
Database identifiers
- CAS
4728-02-3- PubChem CID
- 239663
- DTXSID
DTXSID80963785- Nikkaji
- J80.890C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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