7-Hydroxy-4-methyl-6-(prop-2-en-1-yl)-2H-1-benzopyran-2-one
Basic information
- CAS
1616-53-1- Standard SMILES
C=CCc1cc2c(C)cc(=O)oc2cc1O- InChIKey
TYZLFMHVFBADED-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 7-Hydroxy-4-methyl-6-(prop-2-en-1-yl)-2H-1-benzopyran-2-one
- IUPAC
- 7-hydroxy-4-methyl-6-prop-2-enylchromen-2-one
Names & synonyms
1616-53-1SCHEMBL8593868DTXSID905037927-Hydroxy-4-methyl-6-(prop-2-en-1-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
1616-53-1- PubChem CID
- 12595296
- DTXSID
DTXSID90503792
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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