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127007-81-2 | 2,5-Pyrrolidinedione, 1-(sulfooxy)-
CAS No: 127007-81-2 Catalog No: AG000WKC MDL No:
Product Description
Catalog Number:
AG000WKC
Chemical Name:
2,5-Pyrrolidinedione, 1-(sulfooxy)-
CAS Number:
127007-81-2
Molecular Formula:
C4H5NO6S
Molecular Weight:
195.1506
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate
InChI:
InChI=1S/C4H5NO6S/c6-3-1-2-4(7)5(3)11-12(8,9)10/h1-2H2,(H,8,9,10)
InChI Key:
JBYJAIOLWCCDSB-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1OS(=O)(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.145g/mol
Monoisotopic Mass:
194.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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