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129235-19-4 | 3-Isoxazolol,methanesulfonate(ester)(9CI)
CAS No: 129235-19-4 Catalog No: AG00AIIA MDL No:
Product Description
Catalog Number:
AG00AIIA
Chemical Name:
3-Isoxazolol,methanesulfonate(ester)(9CI)
CAS Number:
129235-19-4
IUPAC Name:
1,2-oxazol-3-yl methanesulfonate
InChI:
InChI=1S/C4H5NO4S/c1-10(6,7)9-4-2-3-8-5-4/h2-3H,1H3
InChI Key:
BUJLAUIGCFLNMI-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.147g/mol
Monoisotopic Mass:
162.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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