Basic information
- CAS
61066-82-8- Standard SMILES
CCCC(=O)OC(C#N)c1ccccc1- InChIKey
RUWYZANXBLEOOR-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Cyano(phenyl)methyl butanoate
- IUPAC
- [cyano(phenyl)methyl] butanoate
Names & synonyms
Cyano(phenyl)methyl butanoate61066-82-8DTXSID10564047
Database identifiers
- CAS
61066-82-8- PubChem CID
- 14789727
- DTXSID
DTXSID10564047
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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