Basic information
- Standard SMILES
CC(=O)Oc1ccc(-c2ccc3oc(C(=O)O)cc3c2)cc1- InChIKey
BOQPEYVEFYQUDV-UHFFFAOYSA-N- Molecular formula
- C17H12O5
- Average molar mass
- 296.27 g/mol
Names & identifiers
- Preferred name
- 5-(4-(Acetyloxy)phenyl)-2-benzofurancarboxylic acid
- IUPAC
- 5-(4-acetyloxyphenyl)-1-benzofuran-2-carboxylic acid
Names & synonyms
SCHEMBL11464989BOQPEYVEFYQUDV-UHFFFAOYSA-N5-(4-(acetyloxy)phenyl)-2-benzofurancarboxylic acid
Database identifiers
- PubChem CID
- 20329639
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
3 records
Compound notes
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