2-Cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
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Basic information
- CAS
272785-22-5- Standard SMILES
COc1ccc(C=C(C#N)C(N)=O)cc1O- InChIKey
LDWQQGWNDMMORF-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 2-Cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
- IUPAC
- 2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
- English name
- 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylamide
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
CBMicro_0333562-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylamide2-Propenamide, 2-cyano-3-(3-hydroxy-4-methoxyphenyl)-(2Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
Database identifiers
- CAS
272785-22-5- PubChem CID
- 2869227
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 529 · 529.0±50.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 9.07 · 9.07±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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