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Home > Pyridines > 1443980-97-9
1443980-97-9 | 2-hydroxy-5-(methoxycarbonyl)pyridine-3-sulfonic acid
CAS No: 1443980-97-9 Catalog No: AG01A5PW MDL No:MFCD24843001
Product Description
Catalog Number:
AG01A5PW
Chemical Name:
2-hydroxy-5-(methoxycarbonyl)pyridine-3-sulfonic acid
CAS Number:
1443980-97-9
Molecular Formula:
C7H7NO6S
Molecular Weight:
233.1986
MDL Number:
MFCD24843001
IUPAC Name:
5-methoxycarbonyl-2-oxo-1H-pyridine-3-sulfonic acid
InChI:
InChI=1S/C7H7NO6S/c1-14-7(10)4-2-5(15(11,12)13)6(9)8-3-4/h2-3H,1H3,(H,8,9)(H,11,12,13)
InChI Key:
BAFGQGMYTFJPEB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)S(=O)(=O)O)O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.194g/mol
Monoisotopic Mass:
232.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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