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100047-54-9

100047-54-9 structural image
Product Name: 4-Isoxazolecarboxylicacid,5-methyl-,methylester(6CI,9CI)
Formula: C6H7NO3
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COMPUTED DESCRIPTORS

Molecular Weight 141.12 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 141.042593085 g/mol
Monoisotopic Mass 141.042593085 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 137
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes