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Home > Pyridines > 1240620-56-7
1240620-56-7 | Cyclohexanecarbonitrile, 4-oxo-1-(4-pyridinyl)-
CAS No: 1240620-56-7 Catalog No: AG000LHS MDL No:MFCD16988822
Product Description
Catalog Number:
AG000LHS
Chemical Name:
Cyclohexanecarbonitrile, 4-oxo-1-(4-pyridinyl)-
CAS Number:
1240620-56-7
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD16988822
IUPAC Name:
4-oxo-1-pyridin-4-ylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C12H12N2O/c13-9-12(5-1-11(15)2-6-12)10-3-7-14-8-4-10/h3-4,7-8H,1-2,5-6H2
InChI Key:
LLQHEIIYYFSOMF-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(=O)CC1)c1ccncc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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