Basic information
- Standard SMILES
N#CCc1ccc2oc(C(=O)O)cc2c1- InChIKey
GHWJBIRGBPRPQR-UHFFFAOYSA-N- Molecular formula
- C11H7NO3
- Average molar mass
- 201.18 g/mol
Names & identifiers
- Preferred name
- 5-Cyanomethylbenzofuran-2-carboxylic acid
- IUPAC
- 5-(cyanomethyl)-1-benzofuran-2-carboxylic acid
Names & synonyms
Oprea1_572689SCHEMBL11186713GHWJBIRGBPRPQR-UHFFFAOYSA-N5-cyanomethylbenzofuran-2-carboxylic acid5-(cyanomethyl)benzofuran-2-carboxylic acid37797-92-5
Database identifiers
- PubChem CID
- 20510044
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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