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Home > Encyclopedia > 5-Amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester

5-Amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester

5-Amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester structure

5-Amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester 

structure
  • CAS No:

    96129-39-4

  • Formula:

    C7H7N3O3

  • Chemical Name:

    5-Amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester

  • Synonyms:

    ethyl 5-amino-4-cyanoisoxazole-3-carboxylate;ethyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate;Maybridge3_006357;SCHEMBL5028417;5-amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester;DTXSID10372346;HMS1449A21;ZINC108381;CCG-49374;AKOS015919428

5-Amino-4-cyano-3-isoxazolecarboxylic acid ethyl ester Basic Attributes

181

181.049

DTXSID10372346

Characteristics

102

0.8

1.38

173-174℃

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:181.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:181.04874109
Monoisotopic Mass:181.04874109
Topological Polar Surface Area:102
Heavy Atom Count:13
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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