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106690-36-2 | 4-Pyridinol, 2-iodo-, 1-oxide
CAS No: 106690-36-2 Catalog No: AG008370 MDL No:
Product Description
Catalog Number:
AG008370
Chemical Name:
4-Pyridinol, 2-iodo-, 1-oxide
CAS Number:
106690-36-2
Molecular Formula:
C5H4INO2
Molecular Weight:
236.9952
IUPAC Name:
1-hydroxy-2-iodopyridin-4-one
InChI:
InChI=1S/C5H4INO2/c6-5-3-4(8)1-2-7(5)9/h1-3,9H
InChI Key:
JNTMBLLQGAJTDV-UHFFFAOYSA-N
SMILES:
Oc1cc[n+](c(c1)I)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.929g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.996g/mol
Monoisotopic Mass:
236.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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