Structure via PubChem · Public domain (PubChem)
acetone cyanohydrin
Sign in to saveAlso known as Cyanohydrin-2-propanone, 2-Cyano-2-propanol, α-Hydroxyisobutyronitrile, 2-Hydroxy-2-methyl-propionitrile, 2-Methyllactonitrile, alpha-Hydroxyisobutyronitrile, p-Hydroxyisobutyronitrile
chemical compound
Chemical data
- Formula
- C4H7NO
- Molecular weight
- 85.1 g/mol
- IUPAC name
- 2-hydroxy-2-methylpropanenitrile
- SMILES
- CC(C)(C#N)O
- InChIKey
- MWFMGBPGAXYFAR-UHFFFAOYSA-N
- XLogP
- -0.1
- Polar surface area
- 44 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- cyanohydrin
- Has part
- carbon
- Mass
- 85.053
Show 16 more facts
- chemical formula
- C₄H₇NO
- median lethal dose (LD50)
- 13.3
- NIOSH Pocket Guide ID
- 0005
- density
- 0.93
- melting point
- -4
- boiling point
- 203
- vapor pressure
- 0.8
- flash point
- 165
- lower flammable limit
- 2.2
- upper flammable limit
- 12
- ceiling exposure limit
- 4
- time-weighted average exposure limit
- 16.7
- minimal lethal dose
- 63
- short-term exposure limit
- 0.9
- canonical SMILES
- CC(C)(C#N)O
- Commons category
- Acetone cyanohydrin
via Wikidata · CC0