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Acetonitrile SA

CAT: 0063-90023406-1ltSize: 1 LDry Ice: NoHazardous: No
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CAS Number
75-05-8
Molecular Formula
CH3CN
Molecular Weight
41.05
Formulation
CH3CN

Chemical Information

Acetonitrile

Acetonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. It has a role as a polar aprotic solvent and an EC 3.5.1.4 (amidase) inhibitor. It is a volatile organic compound and an aliphatic nitrile.

CAS Number75-05-8
PubChem CID6342
IUPAC Nameacetonitrile
Molecular FormulaC2H3N
Molecular Weight41.05
XLogP0
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count3
Formal Charge0
Complexity29
SMILES
CC#N
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetonitrile
CAS: 75-05-8
CID: 6342
Formula: C2H3N
MW: 41.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight41.05
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass41.026549100
Monoisotopic Mass41.026549100
Topological Polar Surface Area23.8 Ų
Heavy Atom Count3
Formal Charge0
Complexity29.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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