Basic information
- CAS
65095-25-2- Standard SMILES
Cc1ccc(C2=CC(=Cc3ccco3)C(=O)O2)cc1- InChIKey
NIFJDUGWNTVUIK-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 2(3H)-Furanone, 3-(2-furanylmethylene)-5-(4-methylphenyl)-
- IUPAC
- 3-(furan-2-ylmethylidene)-5-(4-methylphenyl)furan-2-one
Names & synonyms
65095-25-22(3H)-Furanone, 3-(2-furanylmethylene)-5-(4-methylphenyl)-DTXSID903552533-[(Furan-2-yl)methylidene]-5-(4-methylphenyl)furan-2(3H)-one
Database identifiers
- CAS
65095-25-2- PubChem CID
- 794819
- DTXSID
DTXSID90355253
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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