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74495-70-8

74495-70-8 structural image
Product Name: (+/-)-VANILMANDELIC-D3 ACID
Formula: C9H7D3O5
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COMPUTED DESCRIPTORS

Molecular Weight 201.19 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 201.07165365 g/mol
Monoisotopic Mass 201.07165365 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 205
Isotope Atom Count 3
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