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99747-45-2 | Pyridine, 2-(1,4-dimethyl-5-hexenyl)-3-methyl-
CAS No: 99747-45-2 Catalog No: AG003X19 MDL No:
Product Description
Catalog Number:
AG003X19
Chemical Name:
Pyridine, 2-(1,4-dimethyl-5-hexenyl)-3-methyl-
CAS Number:
99747-45-2
Molecular Formula:
C14H21N
Molecular Weight:
203.3232
IUPAC Name:
3-methyl-2-(5-methylhept-6-en-2-yl)pyridine
InChI:
InChI=1S/C14H21N/c1-5-11(2)8-9-13(4)14-12(3)7-6-10-15-14/h5-7,10-11,13H,1,8-9H2,2-4H3
InChI Key:
WLJGJJNITGZBQF-UHFFFAOYSA-N
SMILES:
C=CC(CCC(c1ncccc1C)C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.329g/mol
Monoisotopic Mass:
203.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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