CC#N
CAS: 75-05-8
Nom: acetonitrile
SMILES: CC#N

Molecular Processing

Molecular formula
C2H3N
Molecular weight
41.05
Exact mass
41.0265
XLogP
0.53
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
3
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
11.29

Supplementary Information

InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
Synonymes
ACETONITRILE75-05-8Methyl cyanideCyanomethaneEthanenitrileEthyl nitrileMethane, cyano-MethanecarbonitrileAcetonitrilCyanure de methylMethylkyanidUSAF EK-488MeCNRCRA waste number U003NCI-C60822DTXSID7020009AI3-00327Z072SB282NNSC-7593DTXCID909CHEBI:38472RefChem:6609200-835-2Methylkyanid [Czech]148642-19-7Cyanure de methyl [French]Acetonitril [German, Dutch]Acetonitrile, anhydrousCH3CNMFCD00001878
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→