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Benzoicacid,3-(aminocyanoacetyl)-,ethylester(9CI)

Benzoicacid,3-(aminocyanoacetyl)-,ethylester(9CI) structure

CAS No:
793615-85-7
Formula:
C12H12N2O3
Chemical Name:
Benzoicacid,3-(aminocyanoacetyl)-,ethylester(9CI)
Synonyms:
Ethyl 3-(3-azanylidynealanyl)benzoate;ZINC39135084

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Benzoicacid,3-(aminocyanoacetyl)-,ethylester(9CI) Basic Attributes

Molecular Weight：

232.239

Exact Mass：

232.085

Characteristics

PSA：

93.2

XLogP3：

0.9

Computed Properties

Molecular Weight:232.23
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:232.08479225
Monoisotopic Mass:232.08479225
Topological Polar Surface Area:93.2
Heavy Atom Count:17
Complexity:345
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoicacid,3-(aminocyanoacetyl)-,ethylester(9CI)

Basic Attributes
Characteristics
Computed Properties

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