Basic information
- Standard SMILES
CC1OC(=O)c2c(O)cccc21- InChIKey
JXFGWOKQZVKZHY-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 7-hydroxy-3-methyl-
- IUPAC
- 7-hydroxy-3-methyl-3H-2-benzofuran-1-one
Names & synonyms
1(3H)-Isobenzofuranone, 7-hydroxy-3-methyl-7-hydroxy-3-methylphthalide7-hydroxy-3-methyl-phthalideSCHEMBL4488117JXFGWOKQZVKZHY-UHFFFAOYSA-N7-hydroxy-3-methyl-3H-isobenzofuran-1-one
Database identifiers
- PubChem CID
- 487782
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Related reactions
5 records
Compound notes
Loading…