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Home > Encyclopedia > Methyl3-broMo-2-oxobutanoate

Methyl3-broMo-2-oxobutanoate

Methyl3-broMo-2-oxobutanoate structure

Methyl3-broMo-2-oxobutanoate 

structure
  • CAS No:

    34329-73-2

  • Formula:

    C5H7BrO3

  • Chemical Name:

    Methyl3-broMo-2-oxobutanoate

  • Synonyms:

    Methyl 3-broMo-2-oxobutanoate;3-BroMo-2-oxobutanoic Acid Methyl Ester;3-Bromo-2-oxo-butyricacidmethylester,tech;Methyl 3-Bromo-2-oxobutyrate;Butanoic acid, 3-bromo-2-oxo-, methyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Methyl3-broMo-2-oxobutanoate Basic Attributes

195.01

193.95786

635-805-1

DTXSID40457933

Characteristics

43.37000

0.51190

1.557±0.06 g/cm3

193.1±23.0 °C(Predicted)

Safety Information

3

22-43-52

36/37

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl3-broMo-2-oxobutanoate Use and Manufacturing

3-Bromo-2-oxobutanoic Acid Methyl Ester is an phosphoenolpyruvate analog and have been used to study pyruvate kinase.

Computed Properties

Molecular Weight:195.01
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.95786
Monoisotopic Mass:193.95786
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:132
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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