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65257-53-6 | Pyridine, 2-(1-methylethyl)-, 1-oxide
CAS No: 65257-53-6 Catalog No: AG00H66C MDL No:
Product Description
Catalog Number:
AG00H66C
Chemical Name:
Pyridine, 2-(1-methylethyl)-, 1-oxide
CAS Number:
65257-53-6
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
IUPAC Name:
1-oxido-2-propan-2-ylpyridin-1-ium
InChI:
InChI=1S/C8H11NO/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChI Key:
VJYVBCPJWGIGFV-UHFFFAOYSA-N
SMILES:
CC(c1cccc[n+]1[O-])C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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