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5-Cyanopentanamide

CAT: 0926-CAA30458-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-CAA30458-01Size:50 mg
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CAS Number
2304-58-7
MDL Number
MFCD19203445
Smiles
C (CCC (=O) N) CC#N
Molecular Formula
C6H10N2O
Molecular Weight
126.16 g/mol
Controlled
No

Chemical Information

5-Cyanovaleramide

structure in first source

CAS Number2304-58-7
PubChem CID11768576
IUPAC Name5-cyanopentanamide
Molecular FormulaC6H10N2O
Molecular Weight126.16
XLogP-0.5
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
C(CCC(=O)N)CC#N
InChI
InChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)
InChIKey
XZUDGZXKOFPLBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Cyanovaleramide
CAS: 2304-58-7
CID: 11768576
Formula: C6H10N2O
MW: 126.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.16
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass126.079312947
Monoisotopic Mass126.079312947
Topological Polar Surface Area66.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
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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