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Basic information
- CAS
6151-06-0- Standard SMILES
Cc1occc(=O)c1OC(=O)c1ccccc1- InChIKey
GBNUKEJIAQPSJH-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one
- IUPAC
- (2-methyl-4-oxopyran-3-yl) benzoate
- English name
- 3-(benzoyloxy)-2-methyl-4H-pyran-4-one
- Molecular formula
- C13H10O4
- Molecular weight
- 230.2161
Names & synonyms
6151-06-02-methyl-4-oxo-4h-pyran-3-yl benzoate3-(Benzoyloxy)-2-methyl-4H-pyran-4-oneEINECS 228-163-5SCHEMBL97213963-benzoyloxy-2-methyl-4-pyroneDTXSID50977071NS000451963-benzoyloxy-2-methyl-pyran-4-one4H-Pyran-4-one, 3-(benzoyloxy)-2-methyl-
Database identifiers
- CAS
6151-06-0- PubChem CID
- 80255
- DTXSID
DTXSID50977071- EC Number
- 228-163-5
- Nikkaji
- J211.419D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
11 records
Compound notes
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