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57842-10-1 | 3-IODOISONICOTINIC ACID
CAS No: 57842-10-1 Catalog No: AG00E8SU MDL No:MFCD01646072
Product Description
Catalog Number:
AG00E8SU
Chemical Name:
3-IODOISONICOTINIC ACID
CAS Number:
57842-10-1
Molecular Formula:
C6H4INO2
Molecular Weight:
249.0059
MDL Number:
MFCD01646072
IUPAC Name:
3-iodopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4INO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChI Key:
MJSNRTLYWDXHAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccncc1I
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
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