Basic information
- CAS
64262-38-0- Standard SMILES
CCOC(=O)C(C#N)c1cccc(C)c1- InChIKey
OZDOHNGJQMZVKU-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Ethyl 2-cyano-2-(3-methylphenyl)acetate
- IUPAC
- ethyl 2-cyano-2-(3-methylphenyl)acetate
Names & synonyms
ethyl 2-cyano-2-(3-methylphenyl)acetate64262-38-0DTXSID70293765RefChem:342744DTXCID80244905ethyl cyano(3-methylphenyl)acetateethyl 2-cyano-2-(m-tolyl)acetateNSC92055Benzeneacetic acid, a-cyano-3-methyl-, ethyl esterNSC-92055AKOS012174952DS-001712
Database identifiers
- CAS
64262-38-0- PubChem CID
- 260548
- DTXSID
DTXSID70293765- Nikkaji
- J450.276K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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