Basic information
- Standard SMILES
CC(C)Oc1cc2ccc(=O)oc2cc1O- InChIKey
UKCLEGHCEDMXOL-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
Names & identifiers
- Preferred name
- 7-hydroxy-6-(1-methylethoxy)-2H-1-benzopyran-2-one
- IUPAC
- 7-hydroxy-6-propan-2-yloxychromen-2-one
Names & synonyms
SCHEMBL8808225UKCLEGHCEDMXOL-UHFFFAOYSA-N7-hydroxy-6-(1-methylethoxy)-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 19927640
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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