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1414956-58-3 | 3-Cinnolinecarboxylic acid, 4-hydroxy-7-iodo-
CAS No: 1414956-58-3 Catalog No: AG001GHE MDL No:
Product Description
Catalog Number:
AG001GHE
Chemical Name:
3-Cinnolinecarboxylic acid, 4-hydroxy-7-iodo-
CAS Number:
1414956-58-3
Molecular Formula:
C9H5IN2O3
Molecular Weight:
316.0521
IUPAC Name:
7-iodo-4-oxo-1H-cinnoline-3-carboxylic acid
InChI:
InChI=1S/C9H5IN2O3/c10-4-1-2-5-6(3-4)11-12-7(8(5)13)9(14)15/h1-3H,(H,11,13)(H,14,15)
InChI Key:
MBMIEHWVZLOUSY-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)nnc(c2O)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.934g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.054g/mol
Monoisotopic Mass:
315.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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