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125728-59-8 | 2,5-Pyrrolidinedione, 1-[2-(methylsulfonyl)ethyl]-
CAS No: 125728-59-8 Catalog No: AG000OKH MDL No:
Product Description
Catalog Number:
AG000OKH
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(methylsulfonyl)ethyl]-
CAS Number:
125728-59-8
Molecular Formula:
C7H11NO4S
Molecular Weight:
205.2315
IUPAC Name:
1-(2-methylsulfonylethyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C7H11NO4S/c1-13(11,12)5-4-8-6(9)2-3-7(8)10/h2-5H2,1H3
InChI Key:
ZBSJQQBPDCDVKU-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CCS(=O)(=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.228g/mol
Monoisotopic Mass:
205.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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