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89634-86-6 | Pyridinium, 1,2,4,6-tetramethyl-3-(1-methylethyl)-
CAS No: 89634-86-6 Catalog No: AG003W5U MDL No:
Product Description
Catalog Number:
AG003W5U
Chemical Name:
Pyridinium, 1,2,4,6-tetramethyl-3-(1-methylethyl)-
CAS Number:
89634-86-6
Molecular Formula:
C12H20N+
Molecular Weight:
178.2939
IUPAC Name:
1,2,4,6-tetramethyl-3-propan-2-ylpyridin-1-ium
InChI:
InChI=1S/C12H20N/c1-8(2)12-9(3)7-10(4)13(6)11(12)5/h7-8H,1-6H3/q+1
InChI Key:
XMMLZZLZMIFEIJ-UHFFFAOYSA-N
SMILES:
CC(c1c(C)cc([n+](c1C)C)C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.16g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.299g/mol
Monoisotopic Mass:
178.16g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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