chempirical

Lactonitrile

C3H5NOCAS 78-97-771.08 g/mol

Open in Covalent MOL file
HON
AlcoholNitrile

Properties

Molecular formula
C3H5NO
Molar mass
71.08 g/mol
Exact mass
71.0371 Da
Density
0.9877 g/mL (at 20 °C)
Melting point
−40 °C
Boiling point
221 °C
logP
-0.11Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78-97-7
SMILES
CC(O)C#N
InChIKey
WOFDVDFSGLBFAC-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Propanenitrile, 2-hydroxy-
  • 2-Hydroxypropanenitrile
  • α-Hydroxypropionitrile
  • 2-Hydroxypropionitrile
  • Acetocyanohydrin
  • Acetaldehyde, cyanohydrin
  • (±)-2-Hydroxypropionitrile
  • (±)-2-Hydroxypropanenitrile
  • NSC 7764

Work with Lactonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Hexyne-2,5-diol3031-66-150 % similar 3-Butyn-2-ol2028-63-943 % similar (S)-(-)-1-Butyn-3-ol2914-69-443 % similar (+)-1-Butyn-3-ol42969-65-343 % similar 3-Butyn-2-ol65337-13-543 % similar Isobutyronitrile78-82-042 % similar 2-Chloropropionitrile1617-17-036 % similar 3-Hexyn-2-ol109-50-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxypropionitrile109-78-4 Ethyl isocyanate109-90-0 Methoxyacetonitrile1738-36-9 Acrylamide79-06-1 Polyacrylamide9003-05-8 2-Azetidinone930-21-2

Elsewhere

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