Basic information
- Standard SMILES
COC(=O)c1ccc(C=C2COc3ccccc3C2=O)cc1- InChIKey
ZGXSZFFFBKCLDC-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(4-oxo-chroman-3-ylidenemethyl)-benzoate
- IUPAC
- methyl 4-[(4-oxochromen-3-ylidene)methyl]benzoate
Names & synonyms
SCHEMBL1064903ZGXSZFFFBKCLDC-UHFFFAOYSA-NMFCD07283245AKOS034382047Methyl 4(4-oxo-chroman-3-ylidenemethyl)-benzoateMethyl 4-(4-oxo-chroman-3-ylidenemethyl)-benzoate
Database identifiers
- PubChem CID
- 4240115
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Related reactions
18 records
Compound notes
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