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Eicosanyl caffeate

Eicosanyl caffeate structure

Eicosanyl caffeate 

structure
  • CAS No:

    905726-67-2

  • Formula:

    C29H48O4

  • Chemical Name:

    Eicosanyl caffeate

  • Synonyms:

    Eicosanyl caffeate;3-(3,4-Dihydroxyphenyl)-2-propenoic acid eicosyl ester;Caffeic acid eicosyl ester

  • Categories:

    Analytical Chemistry  >  Analysis Reagents

Eicosanyl caffeate Basic Attributes

460.68902

460.355

DTXSID00415776

Characteristics

66.8

12.2

0.999

179℃

Safety Information

3

P273, P501

H413

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:460.7
XLogP3:12.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:22
Exact Mass:460.35526001
Monoisotopic Mass:460.35526001
Topological Polar Surface Area:66.8
Heavy Atom Count:33
Complexity:476
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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