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80041-99-2

80041-99-2 structural image
Product Name: METHYL 2-([4-HYDROXYDIHYDRO-2(3H)-ISOXAZOLYL]CARBONYL)BENZENECARBOXYLATE
Formula: C12H13NO5
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >37.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 251.23 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 251.07937252 g/mol
Monoisotopic Mass 251.07937252 g/mol
Topological Polar Surface Area 76.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 332
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