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882624-61-5

882624-61-5 structural image
Product Name: 3-(3-ISOPROPOXY-ISOXAZOL-5-YL)-PROPIONIC ACID
Formula: C9H13NO4
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COMPUTED DESCRIPTORS

Molecular Weight 199.20 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 199.08445790 g/mol
Monoisotopic Mass 199.08445790 g/mol
Topological Polar Surface Area 72.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 195
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