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10019-95-1 | 2-Pyrrolidinone, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 10019-95-1 Catalog No: AG000172 MDL No:MFCD00010421
Product Description
Catalog Number:
AG000172
Chemical Name:
2-Pyrrolidinone, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
10019-95-1
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD00010421
IUPAC Name:
1-(4-methylphenyl)sulfonylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NO3S/c1-9-4-6-10(7-5-9)16(14,15)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChI Key:
AAXCXJDQWSSCHL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCCC1=O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Lewis acid catalyzed highly stereoselective domino-ring-opening cyclization of activated aziridines with enolates: synthesis of functionalized chiral γ-lactams. | The Journal of organic chemistry 20100917 |
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