3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione
Basic information
- CAS
13838-59-0- Standard SMILES
CC(=O)C1C(=O)OC(C)=C(C(=O)c2ccccc2)C1=O- InChIKey
QELXRILISOJPER-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Names & identifiers
- Preferred name
- 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione
- IUPAC
- 3-acetyl-5-benzoyl-6-methylpyran-2,4-dione
Names & synonyms
3-acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione13838-59-0NSC128214DTXSID70299101NSC-1282143-acetyl-5-benzoyl-6-methyl-pyran-2,4-dione
Database identifiers
- CAS
13838-59-0- PubChem CID
- 278530
- DTXSID
DTXSID70299101
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 508
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Compound notes
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