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115881-16-8

115881-16-8 structural image
Product Name: CATECHOL (13C6)
Formula: C6H6O2
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COMPUTED DESCRIPTORS

Molecular Weight 116.067 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 116.05690844 g/mol
Monoisotopic Mass 116.05690844 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 62.9
Isotope Atom Count 6
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