Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)
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Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)
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CAS No:
697730-43-1
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Formula:
C11H10N2O3
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Chemical Name:
Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)
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Synonyms:
Methyl 4-(3-azanylidynealanyl)benzoate;ZINC211767161
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CAS No:
Computed Properties
Molecular Weight:218.21
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:218.06914219
Monoisotopic Mass:218.06914219
Topological Polar Surface Area:93.2
Heavy Atom Count:16
Complexity:323
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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