8-Hydroxy-7-methyl-3-prop-1-enylisochromen-6-one
Basic information
- CAS
408334-64-5- Standard SMILES
CC=Cc1cc2cc(=O)c(C)c(O)c-2co1- InChIKey
OPTQKYJKZCAGAY-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
Names & identifiers
- Preferred name
- 8-Hydroxy-7-methyl-3-prop-1-enylisochromen-6-one
- IUPAC
- 8-hydroxy-7-methyl-3-prop-1-enylisochromen-6-one
- English name
- 6H-2-Benzopyran-6-one, 8-hydroxy-7-methyl-3-(1-propenyl)- (9CI)
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
408334-64-5DB-2133436H-2-benzopyran-6-one, 8-hydroxy-7-methyl-3-(1-propenyl)-(9ci)6H-2-Benzopyran-6-one, 8-hydroxy-7-methyl-3-(1-propenyl)- (9CI)
Database identifiers
- CAS
408334-64-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Boiling point
- 403.352 · 403.352±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.254 · 1.254±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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