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Home> Hot Product Listed 9   > 9-Octadecenoic acid(9Z)-, 1,1'-(1,6-hexanediyl) ester
885687-65-0 structure

9-Octadecenoic acid(9Z)-, 1,1'-(1,6-hexanediyl) ester

Iupac Name:2-methoxy-8-methylquinoline
CAS No.:885687-65-0
Molecular Weight:173.215g/mol
Molecular Formula:C8H12O3S (isomer)
Names and Identifiers
Synonyms

1,6-Hexanedioldioleate 9-Octadecenoic acid (Z)-,1,6-hexanediyl ester 9-Octadecenoicacid (9Z)-, 1,6-hexanediyl ester (9CI) Hexamethylene dioleate Hexane-1,6-diol dioleic acid ester Oleic acid, hexamethylene ester (8CI)

Inchi
InChI=1S/C11H11NO/c1-8-4-3-5-9-6-7-10(13-2)12-11(8)9/h3-7H,1-2H3
InChkey
YBPVXEYERZMYNR-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=CC2=C1N=C(C=C2)OC
Properties
Density
1.289
Flash Point
321.7°C
Computational chemical data
  • Molecular Weight:173.215g/molg/mol
  • Molecular Formula:C8H12O3S
  • Compound Is Canonicalized:True
  • Exact Mass:173.084
  • Monoisotopic Mass:173.084
  • Complexity:172
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:22.1A^2
  • Heavy Atom Count:13
  • 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: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAAAAAADAiBngIyxPIIFACg AyRiRACCiCAhIiAImCA2bJgMJuLEsZuEMChkwBHI6AeQ0OEOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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