Basic information
- Standard SMILES
CCOC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2oc1=O- InChIKey
QGVGIQNAAZTXDH-UHFFFAOYSA-N- Molecular formula
- C18H14O6
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.07903816
Names & identifiers
- Preferred name
- 4-Hydroxy-2-oxo-7-phenoxy-2H-chromene-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-hydroxy-2-oxo-7-phenoxychromene-3-carboxylate
Names & synonyms
SCHEMBL2761595QGVGIQNAAZTXDH-UHFFFAOYSA-N4-Hydroxy-2-oxo-7-phenoxy-2H-chromene-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 86649463
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
3 records
Compound notes
Loading…