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840529-98-8

840529-98-8 structural image
Product Name: 4-Anilino-d5-4-oxobutanoic Acid
Formula: C10H6D5NO3
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COMPUTED DESCRIPTORS

Molecular Weight 198.23 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 198.105276943 g/mol
Monoisotopic Mass 198.105276943 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 209
Isotope Atom Count 5
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

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