Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
Basic information
- CAS
893754-84-2- Standard SMILES
COc1ccc(C=C(C#N)C(=O)OC(C)C)c(OC)c1- InChIKey
HDEQBQZSYYVBQJ-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
- IUPAC
- propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
Names & synonyms
propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate1-Methylethyl 2-cyano-3-(2,4-dimethoxyphenyl)-2-propenoateDTXSID101194267893754-84-2
Database identifiers
- CAS
893754-84-2- PubChem CID
- 4778431
- DTXSID
DTXSID101194267
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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