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Home > Pyridines > 780800-72-8
780800-72-8 | Pyridine, 2-methyl-3-(1-methylethyl)-, 1-oxide (9CI)
CAS No: 780800-72-8 Catalog No: AG00GIDP MDL No:
Product Description
Catalog Number:
AG00GIDP
Chemical Name:
Pyridine, 2-methyl-3-(1-methylethyl)-, 1-oxide (9CI)
CAS Number:
780800-72-8
IUPAC Name:
2-methyl-1-oxido-3-propan-2-ylpyridin-1-ium
InChI:
InChI=1S/C9H13NO/c1-7(2)9-5-4-6-10(11)8(9)3/h4-7H,1-3H3
InChI Key:
HFYXLYIBOCMSFZ-UHFFFAOYSA-N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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