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Home > Encyclopedia > Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)

Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)

Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI) structure

Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI) 

structure
  • CAS No:

    697730-43-1

  • Formula:

    C11H10N2O3

  • Chemical Name:

    Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)

  • Synonyms:

    Methyl 4-(3-azanylidynealanyl)benzoate;ZINC211767161

Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI) Basic Attributes

218.212

218.069

Characteristics

93.2

0.5

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

Guide of Benzoicacid,4-(aminocyanoacetyl)-,methylester(9CI)

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