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Docosyl caffeate

Docosyl caffeate structure

Docosyl caffeate 

structure
  • CAS No:

    28593-92-2

  • Formula:

    C31H52O4

  • Chemical Name:

    Docosyl caffeate

  • Synonyms:

    Docosyl caffeate;Docosyl 3-(3,4-dihydroxyphenyl)acrylate;Docosyl caffeate, (E)-

  • Categories:

    Natural Products  >  Phenylpropanoids

Docosyl caffeate Basic Attributes

489

488.386566

2918290000

Characteristics

66.8

12.35

1.0±0.1 g/cm3

604.0±45.0 °C at 760 mmHg

182.5±22.2 °C

1.518

Safety Information

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:488.7
XLogP3:13.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:24
Exact Mass:488.38656014
Monoisotopic Mass:488.38656014
Topological Polar Surface Area:66.8
Heavy Atom Count:35
Complexity:504
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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