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178880-04-1 | 1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-
CAS No: 178880-04-1 Catalog No: AG0026FL MDL No:MFCD01758049
Product Description
Catalog Number:
AG0026FL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-
CAS Number:
178880-04-1
Molecular Formula:
C4H5N3O4S
Molecular Weight:
191.1652
MDL Number:
MFCD01758049
IUPAC Name:
5-sulfamoyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C4H5N3O4S/c5-12(10,11)3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)(H2,5,10,11)
InChI Key:
FTYKACFNSGUTDJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]nc1S(=O)(=O)N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.161g/mol
Monoisotopic Mass:
191g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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