Basic information
- CAS
61370-65-8- Standard SMILES
Cc1cccc(C=C2Oc3ccccc3C2=O)c1- InChIKey
KPTDNIKMKVQUIW-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 3(2H)-Benzofuranone, 2-[(3-methylphenyl)methylene]-
- IUPAC
- 2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
Names & synonyms
3(2H)-Benzofuranone, 2-[(3-methylphenyl)methylene]-SCHEMBL30073678DTXSID803466152-[(3-Methylphenyl)methylidene]-1-benzofuran-3(2H)-one
Database identifiers
- CAS
61370-65-8- PubChem CID
- 613581
- DTXSID
DTXSID80346615
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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