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1272758-14-1 | 3-Pyridinecarboxylic acid, 6-[[(4-methoxyphenyl)sulfonyl]amino]-
CAS No: 1272758-14-1 Catalog No: AG000WVK MDL No:
Product Description
Catalog Number:
AG000WVK
Chemical Name:
3-Pyridinecarboxylic acid, 6-[[(4-methoxyphenyl)sulfonyl]amino]-
CAS Number:
1272758-14-1
Molecular Formula:
C13H12N2O5S
Molecular Weight:
308.3098
IUPAC Name:
6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O5S/c1-20-10-3-5-11(6-4-10)21(18,19)15-12-7-2-9(8-14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChI Key:
AIKYEVXVRVAMNT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.308g/mol
Monoisotopic Mass:
308.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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