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1707394-81-7 | "2-hydroxy-5-iodo-4,6-dimethylpyridine-3-carboxylic acid"
CAS No: 1707394-81-7 Catalog No: AG01FM3U MDL No:MFCD26383173
Product Description
Catalog Number:
AG01FM3U
Chemical Name:
"2-hydroxy-5-iodo-4,6-dimethylpyridine-3-carboxylic acid"
CAS Number:
1707394-81-7
Molecular Formula:
C8H8INO3
Molecular Weight:
293.0585
MDL Number:
MFCD26383173
IUPAC Name:
5-iodo-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8INO3/c1-3-5(8(12)13)7(11)10-4(2)6(3)9/h1-2H3,(H,10,11)(H,12,13)
InChI Key:
ROORBZYKJGXHGJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)nc(c(c1C)I)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.06g/mol
Monoisotopic Mass:
292.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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