2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
Basic information
- CAS
5424-64-6- Standard SMILES
CCOCCC(=O)C(C#N)c1cccc(OC)c1OC- InChIKey
JQAULPZJMFEUNC-UHFFFAOYSA-N- Molecular formula
- C15H19NO4
- Average molar mass
- 277.31 g/mol
- Monoisotopic mass
- 277.13140809
Names & identifiers
- Preferred name
- 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
- IUPAC
- 2-(2,3-dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
Names & synonyms
2-(2,3-dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile5424-64-6NSC12248DTXSID60279316Benzeneacetonitrile, a-(3-ethoxy-1-oxopropyl)-2,3-dimethoxy-NSC-12248DS-010089
Database identifiers
- CAS
5424-64-6- PubChem CID
- 224027
- DTXSID
DTXSID60279316
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…