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1134-38-9 | Pyridine, 2-methyl-5-(3-methyl-3-cyclohexen-1-yl)-
CAS No: 1134-38-9 Catalog No: AG0008G2 MDL No:
Product Description
Catalog Number:
AG0008G2
Chemical Name:
Pyridine, 2-methyl-5-(3-methyl-3-cyclohexen-1-yl)-
CAS Number:
1134-38-9
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-methyl-5-(3-methylcyclohex-3-en-1-yl)pyridine
InChI:
InChI=1S/C13H17N/c1-10-4-3-5-12(8-10)13-7-6-11(2)14-9-13/h4,6-7,9,12H,3,5,8H2,1-2H3
InChI Key:
WPMGDPCSPDBTGE-UHFFFAOYSA-N
SMILES:
CC1=CCCC(C1)c1ccc(nc1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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