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306936-62-9 | 1H-Pyrrole-2-carboxylic acid, 5-(aminosulfonyl)-1-methyl-
CAS No: 306936-62-9 Catalog No: AG0030XI MDL No:MFCD02677728
Product Description
Catalog Number:
AG0030XI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-(aminosulfonyl)-1-methyl-
CAS Number:
306936-62-9
Molecular Formula:
C6H8N2O4S
Molecular Weight:
204.2037
MDL Number:
MFCD02677728
IUPAC Name:
1-methyl-5-sulfamoylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H8N2O4S/c1-8-4(6(9)10)2-3-5(8)13(7,11)12/h2-3H,1H3,(H,9,10)(H2,7,11,12)
InChI Key:
HIUOQXPHVZAOBG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(n1C)S(=O)(=O)N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.2g/mol
Monoisotopic Mass:
204.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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