Home Nitriles 4-Oxopiperidine-3-carbonitrile, HCl

4-Oxopiperidine-3-carbonitrile, HCl

CAS No.:
1373253-28-1
Catalog Number:
AG009GDU
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
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Product Description
Catalog Number:
AG009GDU
Chemical Name:
4-Oxopiperidine-3-carbonitrile, HCl
CAS Number:
1373253-28-1
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
MDL Number:
MFCD16251150
IUPAC Name:
4-oxopiperidine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C6H8N2O.ClH/c7-3-5-4-8-2-1-6(5)9;/h5,8H,1-2,4H2;1H
InChI Key:
FVYQXGXHUIVIRE-UHFFFAOYSA-N
SMILES:
C1NCCC(=O)C1C#N.Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties