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78399-78-7

78399-78-7 structural image
Product Name: 3-NITROBENZOIC-D4 ACID
Formula: C7H2D4NO4
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COMPUTED DESCRIPTORS

Molecular Weight 171.14 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 171.04696462 g/mol
Monoisotopic Mass 171.04696462 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 198
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

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