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1801760-75-7

1801760-75-7 structural image
Product Name: Benzoic acid, 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-, 2,5-dioxo-1-pyrrolidinyl ester
Formula: C14H11N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 313.27 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 313.08110385 g/mol
Monoisotopic Mass 313.08110385 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 468
Isotope Atom Count 0
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