Basic information
- Standard SMILES
CC(=O)COc1cc2oc(=O)cc(C)c2cc1C- InChIKey
YRQNTLKKSDGZAR-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Names & identifiers
- Preferred name
- 4,6-Dimethyl-7-acetonyloxycoumarin
- IUPAC
- 4,6-dimethyl-7-(2-oxopropoxy)chromen-2-one
Names & synonyms
YRQNTLKKSDGZAR-UHFFFAOYSA-N4,6-dimethyl-7-acetonyloxycoumarin
Database identifiers
- PubChem CID
- 54523725
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 385
Related reactions
1 records
Compound notes
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