chempirical

Mesoxalonitrile

C3N2OCAS 1115-12-480.05 g/mol

Open in Covalent MOL file
NON
KetoneNitrile

Properties

Molecular formula
C3N2O
Molar mass
80.05 g/mol
Exact mass
80.0011 Da
logP
-0.40Crippen estimate
Polar surface area
64.7 Ų
H-bond donors / acceptors
0 / 3
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
1115-12-4
SMILES
C(#N)C(=O)C#N
InChIKey
JSGHQDAEHDRLOI-UHFFFAOYSA-N
InChI
InChI=1S/C3N2O/c4-1-3(6)2-5

Weigh it out

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

Names and synonyms

6 names
  • Carbonyl dicyanide
  • 2-Oxopropanedinitrile
  • Carbonyl cyanide
  • Oxomalononitrile
  • Oxopropanedinitrile
  • Propanedinitrile, oxo-

Reactions

Work with Mesoxalonitrile

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetracyanoethylene670-54-240 % similar Benzoyl cyanide613-90-139 % similar Methyl cyanoformate17640-15-236 % similar 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone84-58-235 % similar Diaminomaleonitrile1187-42-433 % similar Ethyl cyanoformate623-49-432 % similar 2-(Acetyloxy)-2-propenenitrile3061-65-231 % similar Isopropylidenemalononitrile13166-10-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook