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89661-25-6 | 3(2H)-Isoxazolone, 5-[(ethylsulfonyl)methyl]-
CAS No: 89661-25-6 Catalog No: AG0043U6 MDL No:
Product Description
Catalog Number:
AG0043U6
Chemical Name:
3(2H)-Isoxazolone, 5-[(ethylsulfonyl)methyl]-
CAS Number:
89661-25-6
Molecular Formula:
C6H9NO4S
Molecular Weight:
191.2050
IUPAC Name:
5-(ethylsulfonylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C6H9NO4S/c1-2-12(9,10)4-5-3-6(8)7-11-5/h3H,2,4H2,1H3,(H,7,8)
InChI Key:
MOZWYZIEVQHIOM-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Cc1o[nH]c(=O)c1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.201g/mol
Monoisotopic Mass:
191.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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