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Propionitrile

CAT: 0127-OR1002909-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-OR1002909-02Size:10 g
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CAS Number
107-12-0
MDL Number
MFCD00001948
Purity
95%
Smiles
CCC#N

Chemical Information

Propionitrile

Propionitrile is a nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond. It has a role as a polar aprotic solvent. It is a volatile organic compound and an aliphatic nitrile.

CAS Number107-12-0
PubChem CID7854
IUPAC Namepropanenitrile
Molecular FormulaC3H5N
Molecular Weight55.08
XLogP0.2
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity38
SMILES
CCC#N
InChI
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
InChIKey
FVSKHRXBFJPNKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propionitrile
CAS: 107-12-0
CID: 7854
Formula: C3H5N
MW: 55.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight55.08
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass55.042199164
Monoisotopic Mass55.042199164
Topological Polar Surface Area23.8 Ų
Heavy Atom Count4
Formal Charge0
Complexity38.5
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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