Basic information
- CAS
219838-61-6- Standard SMILES
C=Cc1cc(O)ccc1C#N- InChIKey
ABOIEQSXEJHGCB-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
Names & identifiers
- Preferred name
- Benzonitrile, 2-ethenyl-4-hydroxy-
- IUPAC
- 2-ethenyl-4-hydroxybenzonitrile
- English name
- Benzonitrile, 2-ethenyl-4-hydroxy- (9CI)
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
219838-61-6SCHEMBL6561365BENZONITRILE, 2-ETHENYL-4-HYDROXY-DB-285691Benzonitrile, 2-ethenyl-4-hydroxy- (9CI)
Database identifiers
- CAS
219838-61-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 342.9 · 342.9±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 7.66 · 7.66±0.18(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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