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175203-57-3

175203-57-3 structural image
Product Name: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZALDEHYDE OXIME
Formula: C12H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 203.094628657 g/mol
Monoisotopic Mass 203.094628657 g/mol
Topological Polar Surface Area 52.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 287
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes