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92807-58-4 | Isoxazolium, 4-acetyl-2,3,5-trimethyl-, methanesulfonate
CAS No: 92807-58-4 Catalog No: AG0060SK MDL No:
Product Description
Catalog Number:
AG0060SK
Chemical Name:
Isoxazolium, 4-acetyl-2,3,5-trimethyl-, methanesulfonate
CAS Number:
92807-58-4
Molecular Formula:
C9H15NO5S
Molecular Weight:
249.2841
IUPAC Name:
methanesulfonate;1-(2,3,5-trimethyl-1,2-oxazol-2-ium-4-yl)ethanone
InChI:
InChI=1S/C8H12NO2.CH4O3S/c1-5-8(6(2)10)7(3)11-9(5)4;1-5(2,3)4/h1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
AAUZZNPCCWFPOJ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.CC(=O)c1c(C)o[n+](c1C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.281g/mol
Monoisotopic Mass:
249.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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