CC#N.O
CAS: 128870-13-3
Название: acetonitrile;hydrate
SMILES: CC#N.O

Molecular Processing

Molecular formula
C2H5NO
Molecular weight
59.07
Exact mass
59.0371
XLogP
-0.29
TPSA
55.29
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
4
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
14.9

Supplementary Information

InChIKey: PBCJIPOGFJYBJE-UHFFFAOYSA-N
Синонимы
128870-13-3Acetonitrile--water (1/1)DTXSID00593220RefChem:316861DTXCID20543984acetonitrile wateracetonitril wateractonitrile wateracetonitrile-watercyanomethane waterMeCN waterwater acetonitrilewater MeCNacetonitrile H2OACN waterH2O acetonitrilewater ACNwater CH3CNCH3CN WaterDI water acetonitrileACN HOHH2O MeCNMeCN H2OMeCN-H2OACN H2OH2O ACNCH3CN H2OCH3CN-H2OH2O CH3CNSCHEMBL350933
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