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Home> Encyclopedia > Hot Product Listed 6   > 6,9-bis(hexadecyloxymethyl)-4,7-dioxanonane-1,2,9-triol
116686-15-8 structure

6,9-bis(hexadecyloxymethyl)-4,7-dioxanonane-1,2,9-triol

Iupac Name:N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]methanesulfonamide
CAS No.:116686-15-8
Molecular Weight:341.329
Molecular Formula:C8H12N2O (isomer)
Names and Identifiers
Synonyms

3-{3-(hexadecyloxy)-2-[3-(hexadecyloxy)-2-hydroxypropoxy]propoxy}propane-1,2-diol ACMC-20N35K AKOS030557667 CTK0H0732 DTXSID60700817 fkfhbbzkfodure-uhfffaoysa-n

Inchi
InChI=1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3
InChkey
DIIYLGZNZGPXRR-UHFFFAOYSA-N
Canonical Smiles
CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F
Properties
Vapour
1.21E-07mmHg at 25°C
Refractive Index
1.578
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:341.329g/mol
  • Molecular Formula:C8H12N2O
  • Compound Is Canonicalized:True
  • Exact Mass:341.053
  • Monoisotopic Mass:341.053
  • Complexity:522
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:80.8A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByOYBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwQQQAAADAyBmAiyxoBABAKI AqRSQHCCCAAkIgAIiAEHbMgOJjKEtZuDOSDk0BEI6YeaybCeCAABAAAAEAAQAAIAAAAgAAAAAAAA AA==
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