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Home > Pyridines > 114458-33-2
114458-33-2 | Pyridine, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-
CAS No: 114458-33-2 Catalog No: AG000EF6 MDL No:
Product Description
Catalog Number:
AG000EF6
Chemical Name:
Pyridine, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-
CAS Number:
114458-33-2
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-(2,4-dimethylcyclohex-3-en-1-yl)pyridine
InChI:
InChI=1S/C13H17N/c1-10-6-7-12(11(2)9-10)13-5-3-4-8-14-13/h3-5,8-9,11-12H,6-7H2,1-2H3
InChI Key:
XEQHOJCKVGIJHB-UHFFFAOYSA-N
SMILES:
CC1=CC(C(CC1)c1ccccn1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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