Ethyl alpha-cyano-4-cinnolineacetate
Basic information
- CAS
18592-02-4- Standard SMILES
CCOC(=O)C(C#N)c1cnnc2ccccc12- InChIKey
IEYDJITXZIHLHH-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- Ethyl alpha-cyano-4-cinnolineacetate
- IUPAC
- ethyl 2-cinnolin-4-yl-2-cyanoacetate
Names & synonyms
18592-02-4Ethyl alpha-cyano-4-cinnolineacetateRefChem:344734Ethyl alpha-(4-cinnolinyl)-alpha-cyanoacetateIEYDJITXZIHLHH-UHFFFAOYSA-NDTXSID801302178Ethyl 4-cinnolinyl(cyano)acetate #Ethyl (cinnolin-4-yl)(cyano)acetateEthyl I+/--cyano-4-cinnolineacetate
Database identifiers
- CAS
18592-02-4- PubChem CID
- 617795
- DTXSID
DTXSID801302178- Nikkaji
- J1.412.808E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
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Related reactions
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Compound notes
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