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Home> Hot Product Listed 1   > 1,1,3-Triethoxy-4-decene
5345-98-2 structure

1,1,3-Triethoxy-4-decene

Iupac Name:methyl phenanthrene-3-carboxylate
CAS No.:5345-98-2
Molecular Weight:236.27
Molecular Formula:C12H11CLO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C16H12O2/c1-18-16(17)13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h2-10H,1H3
InChkey
PFARRVCKSKRETF-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
Properties
Density
0.892
Boiling Point
525°C at 760 mmHg
Refractive Index
1.677
Flash Point
235.7°C
Computational chemical data
  • Molecular Weight:236.27g/mol
  • Molecular Formula:C12H11CLO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.9
  • Exact Mass:236.084
  • Monoisotopic Mass:236.084
  • Complexity:312
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:18
  • 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: AAADccB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgAAAAAADACAmAIyCMAABACI AiDSCAACAAAkAAAIiAEACMgIJjKANRiAMQAkwAEIqYeIyPCOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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