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22346-75-4 | 4-PYRIDYLCARBINOL N-OXIDE
CAS No: 22346-75-4 Catalog No: AG003M0P MDL No:
Product Description
Catalog Number:
AG003M0P
Chemical Name:
4-PYRIDYLCARBINOL N-OXIDE
CAS Number:
22346-75-4
IUPAC Name:
(1-oxidopyridin-1-ium-4-yl)methanol
InChI:
InChI=1S/C6H7NO2/c8-5-6-1-3-7(9)4-2-6/h1-4,8H,5H2
InChI Key:
ZJGXPKKVSNSGRJ-UHFFFAOYSA-N
EC Number:
244-926-5
Properties
Complexity:
79.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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