Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(CC#N)ccc2o1- InChIKey
XEQYWHNMYTXFJQ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
Names & identifiers
- Preferred name
- Benzofuran-2-carboxylic acid, 5-cyanomethyl-, ethyl ester
- IUPAC
- ethyl 5-(cyanomethyl)-1-benzofuran-2-carboxylate
Names & synonyms
ethyl 5-(cyanomethyl)benzofuran-2-carboxylateSCHEMBL10395706AKOS0221084092-ethoxycarbonyl-5-cyanomethylbenzofuran37797-91-4ethyl 5-cyanomethylbenzofuran-2-carboxylateethyl 5-cyanomethylbenzo[b]furan-2-carboxylateEthyl 5-(cyanomethyl)-1-benzofuran-2-carboxylate #Benzofuran-2-carboxylic acid, 5-cyanomethyl-, ethyl ester
Database identifiers
- PubChem CID
- 615261
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
5 records
Compound notes
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