Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(C#N)c(O)c1- InChIKey
GCILJQRRDBBUBX-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Ethyl 3-(4-cyano-3-hydroxyphenyl)propanoate
- IUPAC
- ethyl 3-(4-cyano-3-hydroxyphenyl)propanoate
Names & synonyms
ethyl 3-(4-cyano-3-hydroxyphenyl)propanoate246219-43-2ethyl 3-(4-cyano-3-hydroxyphenyl)propionateSCHEMBL3348357GCILJQRRDBBUBX-UHFFFAOYSA-NDA-341893-(4-Cyano-3-hydroxy-phenyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 9834402
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
4 records
Compound notes
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