Basic information
- Standard SMILES
O=C(O)C1=COc2cc(O)ccc2O1- InChIKey
COQSIKHGYHREBT-UHFFFAOYSA-N- Molecular formula
- C9H6O5
- Average molar mass
- 194.14 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-1,4-benzodioxin-2-carboxylic acid
- IUPAC
- 6-hydroxy-1,4-benzodioxine-2-carboxylic acid
Names & synonyms
6-hydroxy-1,4-benzodioxin-2-carboxylic acidSCHEMBL7817781COQSIKHGYHREBT-UHFFFAOYSA-N6-hydroxy-l.4-benzodioxin-2-carboxylic acid6-hydroxy-1,4-benzodioxin -2-carboxylic acid
Database identifiers
- PubChem CID
- 11063291
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
5 records
Compound notes
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