Basic information
- Standard SMILES
Cc1cc(=O)oc2c(C=CCCl)c(O)ccc12- InChIKey
GDPNRJJKGPRRRA-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3
- Average molar mass
- 250.68 g/mol
Names & identifiers
- Preferred name
- 8-Chloropropenyl-7-hydroxy-4-methylcoumarin
- IUPAC
- 8-(3-chloroprop-1-enyl)-7-hydroxy-4-methylchromen-2-one
Names & synonyms
SCHEMBL6333870GDPNRJJKGPRRRA-UHFFFAOYSA-N8-chloropropenyl-7-hydroxy-4-methylcoumarin
Database identifiers
- PubChem CID
- 87976573
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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