Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
N#Cc1ccc2oc(CCc3ccc(C(=O)O)cc3)cc2c1- InChIKey
LHKNZMZAZVMDDA-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.08954328
Names & identifiers
- Preferred name
- 4-[2-(5-Cyano-2-benzofuranyl)ethyl]benzoic acid
- IUPAC
- 4-[2-(5-cyano-1-benzofuran-2-yl)ethyl]benzoic acid
Names & synonyms
SCHEMBL7393118LHKNZMZAZVMDDA-UHFFFAOYSA-N4-[2-(5-cyano-2-benzofuranyl)ethyl]benzoic acid
Database identifiers
- PubChem CID
- 21844293
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
5 records
Compound notes
Loading…