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22581-87-9 | 4-(Propan-2-yl)pyridin-1-ium-1-olate 4-Isopropyl-pyridine 1-oxide
CAS No: 22581-87-9 Catalog No: AG01F4NJ MDL No:MFCD06637812
Product Description
Catalog Number:
AG01F4NJ
Chemical Name:
4-(Propan-2-yl)pyridin-1-ium-1-olate
4-Isopropyl-pyridine 1-oxide
CAS Number:
22581-87-9
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD06637812
IUPAC Name:
1-oxido-4-propan-2-ylpyridin-1-ium
InChI:
InChI=1S/C8H11NO/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChI Key:
WHHSRRQBFPSMIO-UHFFFAOYSA-N
SMILES:
CC(c1cc[n+](cc1)[O-])C
NSC Number:
241102
Properties
Complexity:
95.4
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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