Home Nitriles 1-Cyclopropyl-4-oxocyclohexanecarbonitrile

1-Cyclopropyl-4-oxocyclohexanecarbonitrile

CAS No.:
960370-97-2
Catalog Number:
AG00IJRD
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
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Product Description
Catalog Number:
AG00IJRD
Chemical Name:
1-Cyclopropyl-4-oxocyclohexanecarbonitrile
CAS Number:
960370-97-2
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD17013941
IUPAC Name:
1-cyclopropyl-4-oxocyclohexane-1-carbonitrile
InChI:
InChI=1S/C10H13NO/c11-7-10(8-1-2-8)5-3-9(12)4-6-10/h8H,1-6H2
InChI Key:
PHPMGMPLWGFZKK-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(=O)CC1)C1CC1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties