Basic information
- CAS
5431-89-0- Standard SMILES
COc1cc(/C=C2\CCOC2=O)ccc1O- InChIKey
QEMGCNJJXGZLNC-RMKNXTFCSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
- IUPAC
- (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
Names & synonyms
5431-89-03-(4-hydroxy-3-methoxybenzylidene)dihydrofuran-2(3h)-oneNSC99082(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-oneNSC13654NSC26200NSC-13654NSC-26200NSC-99082
Database identifiers
- CAS
5431-89-0- PubChem CID
- 5899080
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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