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157429-40-8 | 2-Pyrrolidinone, 4-[(methylsulfonyl)oxy]-, (4S)-
CAS No: 157429-40-8 Catalog No: AG001PGJ MDL No:
Product Description
Catalog Number:
AG001PGJ
Chemical Name:
2-Pyrrolidinone, 4-[(methylsulfonyl)oxy]-, (4S)-
CAS Number:
157429-40-8
Molecular Formula:
C5H9NO4S
Molecular Weight:
179.1943
IUPAC Name:
[(3S)-5-oxopyrrolidin-3-yl] methanesulfonate
InChI:
InChI=1S/C5H9NO4S/c1-11(8,9)10-4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChI Key:
QHQGEIBEFDXFLX-BYPYZUCNSA-N
SMILES:
O=C1NC[C@H](C1)OS(=O)(=O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.19g/mol
Monoisotopic Mass:
179.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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