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2-cyano-N-phenylacetamide

CAT: 0013-GTR19251195-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251195-01Size:1 g
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Description
2-cyano-N-phenylacetamide
CAS Number
621-03-4
Purity
99.36% (May vary between batches)
Smiles
O=C (CC#N) NC1=CC=CC=C1
Molecular Formula
C9H8N2O
Molecular Weight
160.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acetamide, 2-cyano-N-phenyl-
CAS Number621-03-4
PubChem CID69296
IUPAC Name2-cyano-N-phenylacetamide
Molecular FormulaC9H8N2O
Molecular Weight160.17
XLogP1.6
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity198
SMILES
C1=CC=C(C=C1)NC(=O)CC#N
InChI
InChI=1S/C9H8N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)
InChIKey
XCTQPMCULSZKLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, 2-cyano-N-phenyl-
CAS: 621-03-4
CID: 69296
Formula: C9H8N2O
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass160.063662883
Monoisotopic Mass160.063662883
Topological Polar Surface Area52.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity198
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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