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2-Furonitrile

CAT: 0024-sc-230363Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-230363Size:1 g
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CAS Number
617-90-3

Chemical Information

2-Furonitrile
CAS Number617-90-3
PubChem CID69245
IUPAC Namefuran-2-carbonitrile
Molecular FormulaC5H3NO
Molecular Weight93.08
XLogP1
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity102
SMILES
C1=COC(=C1)C#N
InChI
InChI=1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H
InChIKey
YXDXXGXWFJCXEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Furonitrile
CAS: 617-90-3
CID: 69245
Formula: C5H3NO
MW: 93.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight93.08
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass93.021463719
Monoisotopic Mass93.021463719
Topological Polar Surface Area36.9 Ų
Heavy Atom Count7
Formal Charge0
Complexity102
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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Alternative Products

CatalogName
F7630-012-Furonitrile
OR40643-012-Amino-3-furonitrile
OR124462-Bromo-3-furonitrile
OR400383-Furonitrile
AAA059825-Nitro-2-furonitrile
OR922196-015-Methyl-2-furonitrile
PAA742322-Amino-5-phenyl-3-furonitrile
OR121662-Amino-4- (4-nitrophenyl) -3-furonitrile
OR019212-Amino-4,5-dimethyl-3-furonitrile
OR15102-Amino-4,5-diphenyl-3-furonitrile

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