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Home > Encyclopedia > tert-butyl 3-oxo-3-phenylpropanoate

tert-butyl 3-oxo-3-phenylpropanoate

tert-butyl 3-oxo-3-phenylpropanoate structure

tert-butyl 3-oxo-3-phenylpropanoate 

structure
  • CAS No:

    54441-66-6

  • Formula:

    C13H16O3

  • Chemical Name:

    tert-butyl 3-oxo-3-phenylpropanoate

  • Synonyms:

    Tert-butyl 3-oxo-3-phenyl-propanoate; tert-butyl benzoylacetate; PhC(O)CH2COOBu-t; benzoylacetic acidtert-butyl ester;

tert-butyl 3-oxo-3-phenylpropanoate Basic Attributes

220.26400

220.109944368 g/mol

2918300090

Characteristics

43.37000

2.60110

1.063g/cm3

296ºC

122.8ºC

1.502

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:220.26
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:16
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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