Basic information
- CAS
60248-76-2- Standard SMILES
CC1=CC(=O)OC1(O)CC(=O)c1ccccc1- InChIKey
QVJBDIMMBPYULV-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 5-Hydroxy-4-methyl-5-(2-oxo-2-phenylethyl)furan-2(5H)-one
- IUPAC
- 5-hydroxy-4-methyl-5-phenacylfuran-2-one
Names & synonyms
60248-76-2NSC279189DTXSID203139625-Hydroxy-4-methyl-5-(2-oxo-2-phenylethyl)furan-2(5H)-oneNSC-279189DS-0090015-hydroxy-4-methyl-5-phenacyl-furan-2-one
Database identifiers
- CAS
60248-76-2- PubChem CID
- 322296
- DTXSID
DTXSID20313962
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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