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101769-63-5

101769-63-5 structural image
Product Name: ShikiMic Acid Ethyl Ester
Formula: C9H14O5
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COMPUTED DESCRIPTORS

Molecular Weight 202.20 g/mol
XLogP3 -1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 202.08412354 g/mol
Monoisotopic Mass 202.08412354 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 248
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes