Ethyl [(2-cyanophenyl)(methyl)amino](oxo)acetate
Basic information
- CAS
106875-08-5- Standard SMILES
CCOC(=O)C(=O)N(C)c1ccccc1C#N- InChIKey
OBHWJYQWTGLACE-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- Ethyl [(2-cyanophenyl)(methyl)amino](oxo)acetate
- IUPAC
- ethyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
Names & synonyms
DTXSID001233276AKOS018978490Ethyl [(2-cyanophenyl)(methyl)amino](oxo)acetateEthyl 2-[(2-cyanophenyl)methylamino]-2-oxoacetate106875-08-5
Database identifiers
- CAS
106875-08-5- PubChem CID
- 80415263
- DTXSID
DTXSID001233276
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
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Compound notes
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