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33630-46-5

33630-46-5 structural image
Product Name: Hydroxy(4-hydroxy-3-methoxyphenyl)acetonitrile
Formula: C9H9NO3
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COMPUTED DESCRIPTORS

Molecular Weight 179.17 g/mol
XLogP3 0
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 179.058243149 g/mol
Monoisotopic Mass 179.058243149 g/mol
Topological Polar Surface Area 73.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 210
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