Home Nitriles 1-Cyclohexene-1-carbonitrile, 4-oxo-

1-Cyclohexene-1-carbonitrile, 4-oxo-

CAS No.:
73453-61-9
Catalog Number:
AG005DGV
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
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Product Description
Catalog Number:
AG005DGV
Chemical Name:
1-Cyclohexene-1-carbonitrile, 4-oxo-
CAS Number:
73453-61-9
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD24693063
IUPAC Name:
4-oxocyclohexene-1-carbonitrile
InChI:
InChI=1S/C7H7NO/c8-5-6-1-3-7(9)4-2-6/h1H,2-4H2
InChI Key:
RTJYIRMFYYDFQJ-UHFFFAOYSA-N
SMILES:
N#CC1=CCC(=O)CC1
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties