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33577-97-8

33577-97-8 structural image
Product Name: METHYL 3-(3-HYDROXY-3-METHYL-1-BUTYNYL)BENZOATE
Formula: C13H14O3
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COMPUTED DESCRIPTORS

Molecular Weight 218.25 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 218.094294304 g/mol
Monoisotopic Mass 218.094294304 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 319
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