3-(3-Methoxyphenyl)-2-cyano-acrylic acid ethyl ester
Basic information
- CAS
19098-69-2- Standard SMILES
CCOC(=O)C(C#N)=Cc1cccc(OC)c1- InChIKey
LHWAGIDKCSEUAT-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-2-cyano-acrylic acid ethyl ester
- IUPAC
- ethyl 2-cyano-3-(3-methoxyphenyl)prop-2-enoate
Names & synonyms
3-(3-methoxyphenyl)-2-cyano-acrylic acid ethyl ester19098-69-2ethyl 2-cyano-3-(3-methoxyphenyl)prop-2-enoateSCHEMBL2179550DTXSID90327218LHWAGIDKCSEUAT-UHFFFAOYSA-N3-(3-methoxy-phenyl)-2-cyano-acrylic acid ethyl ester
Database identifiers
- CAS
19098-69-2- PubChem CID
- 367497
- DTXSID
DTXSID90327218
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
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Related reactions
6 records
Compound notes
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