3-Allyl-4-hydroxybenzonitrile
Basic information
- CAS
90923-69-6- Standard SMILES
C=CCc1cc(C#N)ccc1O- InChIKey
ORYLHBCOOJPTRE-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 3-Allyl-4-hydroxybenzonitrile
- IUPAC
- 4-hydroxy-3-prop-2-enylbenzonitrile
- English name
- 3-allyl-4-hydroxybenzonitrile
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
3-allyl-4-hydroxybenzonitrile90923-69-64-hydroxy-3-prop-2-enylbenzonitrile4-hydroxy-3-(prop-2-en-1-yl)benzonitrile2-allyl-4-cyanophenolNSC87354NCIOpen2_0011123-allyl-4-hydroxy-benzonitrileSCHEMBL1400243DTXSID90920061ORYLHBCOOJPTRE-UHFFFAOYSA-NNSC-87354
Show more names
Benzonitrile, 4-hydroxy-3-(2-propen-1-yl)-
DA-01173
Database identifiers
- CAS
90923-69-6- PubChem CID
- 258442
- DTXSID
DTXSID90920061- Nikkaji
- J2.222.660F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 83 · 83.0-84.0 °C
- Boiling point
- 302.1 · 302.1±30.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 8.16 · 8.16±0.18(Predicted)
Related reactions
14 records
Compound notes
Loading…