Home Carboxys 4-[(2-hydroxypropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2-hydroxypropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

CAS No.:
1155166-67-8
Catalog Number:
AG01AKY3
Molecular Formula:
C8H12N2O5S
Molecular Weight:
248.2563
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Product Description
Catalog Number:
AG01AKY3
Chemical Name:
4-[(2-hydroxypropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CAS Number:
1155166-67-8
Molecular Formula:
C8H12N2O5S
Molecular Weight:
248.2563
MDL Number:
MFCD12184109
IUPAC Name:
4-(2-hydroxypropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H12N2O5S/c1-5(11)3-10-16(14,15)6-2-7(8(12)13)9-4-6/h2,4-5,9-11H,3H2,1H3,(H,12,13)
InChI Key:
IJMUUZBETXVREY-UHFFFAOYSA-N
SMILES:
CC(CNS(=O)(=O)c1c[nH]c(c1)C(=O)O)O
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
248.253g/mol
Monoisotopic Mass:
248.047g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties