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65257-54-7 | Pyridine, 2-(2-methylpropyl)-, 1-oxide
CAS No: 65257-54-7 Catalog No: AG00H66B MDL No:
Product Description
Catalog Number:
AG00H66B
Chemical Name:
Pyridine, 2-(2-methylpropyl)-, 1-oxide
CAS Number:
65257-54-7
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
2-(2-methylpropyl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C9H13NO/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3
InChI Key:
URMGBHGEULXECM-UHFFFAOYSA-N
SMILES:
CC(Cc1cccc[n+]1[O-])C
Properties
Complexity:
114
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:
2
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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