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13054-02-9 | 3-Pyridinecarboxylic acid, 6-iodo-
CAS No: 13054-02-9 Catalog No: AG000UM5 MDL No:
Product Description
Catalog Number:
AG000UM5
Chemical Name:
3-Pyridinecarboxylic acid, 6-iodo-
CAS Number:
13054-02-9
Molecular Formula:
C6H4INO2
Molecular Weight:
249.0059
IUPAC Name:
6-iodopyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4INO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChI Key:
PCGJGRDGMJRQAJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cn1)C(=O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.007g/mol
Monoisotopic Mass:
248.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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