dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate
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dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate
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CAS No:
71700-31-7
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Formula:
C16H20N4O4
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Chemical Name:
dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate
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Synonyms:
NSC345850;MLS003171045;71700-31-7;1,2,3,4-Benzotetrazine-1,2-dicarboxylic acid, 3,5,6,7,8,8a-hexahydro-3-phenyl-, dimethyl ester;NSC 345850;CHEMBL2144990;NSC-345850;dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate;SMR001874954
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CAS No:
dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate Basic Attributes
332.35 g/mol
332.14845513 g/mol
345850
Computed Properties
Molecular Weight:332.35
XLogP3:2.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:332.14845513
Monoisotopic Mass:332.14845513
Topological Polar Surface Area:74.7
Heavy Atom Count:24
Complexity:518
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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