Home Carboxys 4-sulfamoyl-1H-pyrrole-2-carboxylic acid

4-sulfamoyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1042556-50-2
Catalog Number:
AG01A7MX
Molecular Formula:
C5H6N2O4S
Molecular Weight:
190.1771
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Product Description
Catalog Number:
AG01A7MX
Chemical Name:
4-sulfamoyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1042556-50-2
Molecular Formula:
C5H6N2O4S
Molecular Weight:
190.1771
MDL Number:
MFCD11167873
IUPAC Name:
4-sulfamoyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H6N2O4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)(H2,6,10,11)
InChI Key:
DSRIAQJIFHUAEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(c1)S(=O)(=O)N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
190.173g/mol
Monoisotopic Mass:
190.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties