[2-(2-cyanoanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
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[2-(2-cyanoanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
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CAS No:
380172-73-6
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Formula:
C17H12N2O5
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Chemical Name:
[2-(2-cyanoanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
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Synonyms:
Oprea1_520036;MLS002165644;CHEMBL2143659;HMS3040M13;ZINC3219216;AKOS002471246;MCULE-3052437807;SMR001248005;AB00710706-01;Z18362768;[(2-cyanophenyl)carbamoyl]methyl 2H-1,3-benzodioxole-5-carboxylate;380172-73-6
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CAS No:
[2-(2-cyanoanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Basic Attributes
324.29 g/mol
324.07462149 g/mol
Computed Properties
Molecular Weight:324.29
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:324.07462149
Monoisotopic Mass:324.07462149
Topological Polar Surface Area:97.6
Heavy Atom Count:24
Complexity:528
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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