Basic information
- Standard SMILES
COc1ccc2c(c1O)C(O)OC2=O- InChIKey
SWBIHYFLDFQKET-UHFFFAOYSA-N- Molecular formula
- C9H8O5
- Average molar mass
- 196.16 g/mol
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-5-methoxy-3H-isobenzofuran-1-one
- IUPAC
- 3,4-dihydroxy-5-methoxy-3H-2-benzofuran-1-one
Names & synonyms
SCHEMBL6584591SWBIHYFLDFQKET-UHFFFAOYSA-N3,4-Dihydroxy-5-methoxy-3H-isobenzofuran-1-one
Database identifiers
- PubChem CID
- 18504787
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Related reactions
4 records
Compound notes
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