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128899-31-0 | 2-Pyrrolidinone, 5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (5R)-
CAS No: 128899-31-0 Catalog No: AG000YHG MDL No:
Product Description
Catalog Number:
AG000YHG
Chemical Name:
2-Pyrrolidinone, 5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (5R)-
CAS Number:
128899-31-0
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
IUPAC Name:
[(2R)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H15NO4S/c1-9-2-5-11(6-3-9)18(15,16)17-8-10-4-7-12(14)13-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,13,14)/t10-/m1/s1
InChI Key:
AMZNHHZJURKRFX-SNVBAGLBSA-N
SMILES:
O=C1CC[C@@H](N1)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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