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31899-01-1 | 4-(Phenylsulfonyl);azetidin-2-one
CAS No: 31899-01-1 Catalog No: AG003KA1 MDL No:MFCD00272351
Product Description
Catalog Number:
AG003KA1
Chemical Name:
4-(Phenylsulfonyl);azetidin-2-one
CAS Number:
31899-01-1
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
MDL Number:
MFCD00272351
IUPAC Name:
4-(benzenesulfonyl)azetidin-2-one
InChI:
InChI=1S/C9H9NO3S/c11-8-6-9(10-8)14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChI Key:
HTSFUAPDRXCYDV-UHFFFAOYSA-N
SMILES:
O=C1CC(N1)S(=O)(=O)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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