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97781-16-3

97781-16-3 structural image
Product Name: 2-ACETOXYBENZOIC-3,4,5,6-D4 ACID
Formula: C9H8O4
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COMPUTED DESCRIPTORS

Molecular Weight 184.18 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 184.06736572 g/mol
Monoisotopic Mass 184.06736572 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 212
Isotope Atom Count 4
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