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140691-67-4 | Pyridine, 3-(4-methylhexyl)-
CAS No: 140691-67-4 Catalog No: AG001CP1 MDL No:
Product Description
Catalog Number:
AG001CP1
Chemical Name:
Pyridine, 3-(4-methylhexyl)-
CAS Number:
140691-67-4
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
IUPAC Name:
3-(4-methylhexyl)pyridine
InChI:
InChI=1S/C12H19N/c1-3-11(2)6-4-7-12-8-5-9-13-10-12/h5,8-11H,3-4,6-7H2,1-2H3
InChI Key:
PGALAANWFGPCEB-UHFFFAOYSA-N
SMILES:
CCC(CCCc1cccnc1)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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