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Home > Pyridines > 1502825-46-8
1502825-46-8 | 3-Pyridinecarbonitrile, 5-(2-formyl-1-cyclohexen-1-yl)-
CAS No: 1502825-46-8 Catalog No: AG001MGG MDL No:
Product Description
Catalog Number:
AG001MGG
Chemical Name:
3-Pyridinecarbonitrile, 5-(2-formyl-1-cyclohexen-1-yl)-
CAS Number:
1502825-46-8
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
5-(2-formylcyclohexen-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H12N2O/c14-6-10-5-12(8-15-7-10)13-4-2-1-3-11(13)9-16/h5,7-9H,1-4H2
InChI Key:
OGYOSXVWMHMLRH-UHFFFAOYSA-N
SMILES:
O=CC1=C(CCCC1)c1cncc(c1)C#N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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