Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate
Basic information
- CAS
5424-55-5- Standard SMILES
CCOC(=O)OC(C#N)c1cccc(OC)c1OC- InChIKey
GWWVYPYNGQHIAU-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate
- IUPAC
- [cyano-(2,3-dimethoxyphenyl)methyl] ethyl carbonate
Names & synonyms
5424-55-5cyano(2,3-dimethoxyphenyl)methyl ethyl carbonateNSC12235DTXSID40279314NSC-12235
Database identifiers
- CAS
5424-55-5- PubChem CID
- 224024
- DTXSID
DTXSID40279314- Nikkaji
- J1.865.283H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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