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

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

CAS No.:
1000933-49-2
Catalog Number:
AG019LKD
Molecular Formula:
C8H10N2O6S
Molecular Weight:
262.2398
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Product Description
Catalog Number:
AG019LKD
Chemical Name:
4-[(carboxymethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1000933-49-2
Molecular Formula:
C8H10N2O6S
Molecular Weight:
262.2398
MDL Number:
MFCD09971515
IUPAC Name:
4-(carboxymethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H10N2O6S/c1-10-4-5(2-6(10)8(13)14)17(15,16)9-3-7(11)12/h2,4,9H,3H2,1H3,(H,11,12)(H,13,14)
InChI Key:
UCNDAZLAPUJWNU-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1cc(n(c1)C)C(=O)O
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.026g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
262.236g/mol
Monoisotopic Mass:
262.026g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties