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178879-95-3 | 1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-1-methyl-
CAS No: 178879-95-3 Catalog No: AG0026FU MDL No:
Product Description
Catalog Number:
AG0026FU
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-1-methyl-
CAS Number:
178879-95-3
Molecular Formula:
C5H7N3O4S
Molecular Weight:
205.1918
IUPAC Name:
1-methyl-3-sulfamoylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H7N3O4S/c1-8-2-3(5(9)10)4(7-8)13(6,11)12/h2H,1H3,(H,9,10)(H2,6,11,12)
InChI Key:
WUJGKGQPQJODRF-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)S(=O)(=O)N)C(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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