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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Ethanocycloocta[c]furan(8CI,9CI)
797756-92-4 structure

5,8-Ethanocycloocta[c]furan(8CI,9CI)

Iupac Name:ethyl 2-(4-bromophenyl)-3-hydroxypropanoate
CAS No.:797756-92-4
Molecular Weight:273.126g/mol
Molecular Formula:C7H12O (isomer)
Names and Identifiers
Synonyms

5,8-Ethenocycloocta[c]furan,10,11-dihydro-

Inchi
InChI=1S/C11H13BrO3/c1-2-15-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3
InChkey
PMMRZKHXEAWVIL-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C(CO)C1=CC=C(C=C1)Br
Properties
Density
1.385
Boiling Point
970.8°C at 760 mmHg
Computational chemical data
  • Molecular Weight:273.126g/molg/mol
  • Molecular Formula:C7H12O
  • Compound Is Canonicalized:True
  • Exact Mass:272.005
  • Monoisotopic Mass:272.005
  • Complexity:200
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABrQCgmAIyCIAABgCI AiDSCAACAAAgAAQIiAEAAKgIMDaAFRCCYAAl4AEIiheIyOCOggAAAAAAAAAEAAAAAAAAAAAAAAAA AA==
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