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115946-47-9 | 2-Azetidinone, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 115946-47-9 Catalog No: AG000H5Z MDL No:
Product Description
Catalog Number:
AG000H5Z
Chemical Name:
2-Azetidinone, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
115946-47-9
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
1-(4-methylphenyl)sulfonylazetidin-2-one
InChI:
InChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)15(13,14)11-7-6-10(11)12/h2-5H,6-7H2,1H3
InChI Key:
CUIMIZHBFZLBAD-UHFFFAOYSA-N
SMILES:
O=C1CCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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