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93548-20-0

93548-20-0 structural image
Product Name: 4-Isoxazolepropanoic acid, β,3,5-trimethyl-
Formula: C9H13NO3
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COMPUTED DESCRIPTORS

Molecular Weight 183.20 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 183.08954328 g/mol
Monoisotopic Mass 183.08954328 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 195
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes