Basic information
- Standard SMILES
COC(=O)c1ccc(CCC#N)cc1- InChIKey
XERRGOIBNMMMJM-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-cyanoethyl)benzoate
- IUPAC
- methyl 4-(2-cyanoethyl)benzoate
Names & synonyms
methyl 4-(2-cyanoethyl)benzoate74733-36-1SCHEMBL6716160XERRGOIBNMMMJM-UHFFFAOYSA-NDA-03121EN300-1858195
Database identifiers
- PubChem CID
- 13308299
- Nikkaji
- J2.488.635B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Related reactions
4 records
Compound notes
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