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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol,5-ethynyl-10,11-dihydro-
1302-76-7 structure

5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol,5-ethynyl-10,11-dihydro-

Iupac Name:aluminum; silicic acid; hydrate
CAS No.:1302-76-7
Molecular Weight:168.093216
Molecular Formula:C12H8O2S2 (isomer)
Names and Identifiers
Synonyms

1-aza-5h-dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-ethynyl- 2-ethynyl-7-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol 5-ethynyl-10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol 5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- AC1L1UMG brn 1469717 CTK8I1654 LS-33784

Inchi
InChI=1/Al.O3Si/c;1-4(2)3/q+3;-2
InChkey
INJRKJPEYSAMPD-UHFFFAOYSA-N
Canonical Smiles
O.O[Si](O)(O)O.[Al].[Al]
Properties
Boiling Point
390.5 °C at 760 mmHg
Flash Point
137.8ºC
Safety and Handling
Safety Statements
Questionable carcinogen with experimental tumorigenic data by implantation. See also ALUMINUM COMPOUNDS.
Computational chemical data
  • Molecular Weight:168.093216g/mol
  • Molecular Formula:C12H8O2S2
  • Exact Mass:167.961527
  • Monoisotopic Mass:167.961527
  • Complexity:19.1
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:81.9
  • Heavy Atom Count:8
  • 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:4
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  • Tel:+27 (0)11 465-6121
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