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84395-93-7

84395-93-7 structural image
Product Name: 1,2-Benzisoxazole-3-carboxaldehyde (9CI)
Formula: C8H5NO2
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COMPUTED DESCRIPTORS

Molecular Weight 147.13 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 147.032028402 g/mol
Monoisotopic Mass 147.032028402 g/mol
Topological Polar Surface Area 43.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 160
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