Basic information
- Standard SMILES
N#CCc1ccccc1CO- InChIKey
JVLSPOMXYPEZCE-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
Names & identifiers
- Preferred name
- (2-Hydroxymethylphenyl)acetonitrile
- IUPAC
- 2-[2-(hydroxymethyl)phenyl]acetonitrile
Names & synonyms
(2-Hydroxymethylphenyl)acetonitrile2-(2-(Hydroxymethyl)phenyl)acetonitrile67519-22-6Benzeneacetonitrile, 2-(hydroxymethyl)-2-Cyanomethylbenzyl alcoholSCHEMBL2422661alpha-hydroxy-alpha'-cyano-o-xylene(2-Hydroxymethylphenyl)-acetonitrile
Database identifiers
- PubChem CID
- 582335
- Nikkaji
- J144.607J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Related reactions
5 records
Compound notes
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