Basic information
- CAS
582-04-7- Standard SMILES
O=C1C(=Cc2ccccc2)Oc2ccccc21- InChIKey
OMUOMODZGKSORV-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Names & identifiers
- Preferred name
- 2-Benzylidene-1-benzofuran-3-one
- IUPAC
- 2-benzylidene-1-benzofuran-3-one
- English name
- 2-Benzylidene-3(2H)-benzofuranone
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
2-benzylidene-1-benzofuran-3(2H)-oneCBiol_0003072-Benzylidenebenzofuran-3(2H)-one2-benzylidene-1-benzofuran-3-oneSCHEMBL305101SCHEMBL29935711ICCB2_000307Q1031675AuroneBenzalcoumaranone2-Benzylidene-3(2H)-benzofuranone3(2H)-Benzofuranone, 2-(phenylmethylene)-
Database identifiers
- CAS
582-04-7- PubChem CID
- 613552
- DTXSID
DTXSID70424870
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 110 °C · 110 °C(Solv: hexane (110-54-3))
- Boiling point
- 384.5 · 384.5±42.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- FDA UNII
- 3 PDY72JP9 · P3PDY72JP9
Chemistry & industry
Suppliers1 total
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Additional notes
DefinitionChEBI: Aurone is a simplest memebr of the class of aurones that is 1-benzofuran-3(2H)-one in which both hydrogens at position 2 are substituted by a benzylidene group (the Z-isomer). It is a cyclic ketone and a member of aurones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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