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Home > Pyridines > 1145688-60-3
1145688-60-3 | 4-OXO-1-(3-PYRIDINYL)-CYCLOHEXANECARBONITRILE
CAS No: 1145688-60-3 Catalog No: AG01DYFQ MDL No:MFCD17013948
Product Description
Catalog Number:
AG01DYFQ
Chemical Name:
4-OXO-1-(3-PYRIDINYL)-CYCLOHEXANECARBONITRILE
CAS Number:
1145688-60-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD17013948
IUPAC Name:
4-oxo-1-pyridin-3-ylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C12H12N2O/c13-9-12(5-3-11(15)4-6-12)10-2-1-7-14-8-10/h1-2,7-8H,3-6H2
InChI Key:
XMBVBQZJADWPNZ-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(=O)CC1)c1cccnc1
Properties
Complexity:
292
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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