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elsholtziaketone

elsholtziaketone structure

elsholtziaketone 

structure
  • CAS No:

    488-05-1

  • Formula:

    C10H14O2

  • Chemical Name:

    elsholtziaketone

  • Synonyms:

    Elsholtzione;elsholtziaketone;3-Methyl-1-(3-methylfuran-2-yl)-1-butanone;1-Butanone,3-Methyl-1-(3-Methyl-2-furanyl)-

elsholtziaketone Basic Attributes

166.22

166.09900

DTXSID00197606

Characteristics

30.2

2.81680

0.978 g/cm3

236.8ºC at 760 mmHg

102.8ºC

1.468

0.0465mmHg at 25°C

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.

Drug Information

elsholtziaketone

Computed Properties

Molecular Weight:166.22
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:30.2
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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