1H-Pyrrole-1-ethanesulfonic acid, 2,5-dihydro-2,5-dioxo-


Chemical Name: 1H-Pyrrole-1-ethanesulfonic acid, 2,5-dihydro-2,5-dioxo-
CAS Number: 52338-78-0
Product Number: AG006UTC(AGN-PC-0236VZ)
Synonyms:
MDL No: MFCD09835590
Molecular Formula: C6H7NO5S
Molecular Weight: 205.1885

Identification/Properties


Computed Properties
Molecular Weight:
205.184g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
205.004g/mol
Monoisotopic Mass:
205.004g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
345
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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