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Home> Encyclopedia > Hot Product Listed 5   > 5H-Indeno[1,2-b]pyridine-5,9-diol,8-methoxy-4-methyl-, (-)-
98534-80-6 structure

5H-Indeno[1,2-b]pyridine-5,9-diol,8-methoxy-4-methyl-, (-)-

Iupac Name:1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CAS No.:98534-80-6
Molecular Weight:290.626
Molecular Formula:C6H10O4 (isomer)
Names and Identifiers
Synonyms

(-)-Polylongine Polylongine

Inchi
InChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)
InChkey
HSZJMDBOSZVDOK-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl
Properties
Density
1.139
Melting Point
137 °C
Boiling Point
405.3°C at 760 mmHg
Refractive Index
1.557
HS Code
2933199090
Computational chemical data
  • Molecular Weight:290.626g/mol
  • Molecular Formula:C6H10O4
  • Compound Is Canonicalized:True
  • Exact Mass:290.007
  • Monoisotopic Mass:290.007
  • Complexity:345
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:55.1A^2
  • Heavy Atom Count:19
  • 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: AAADcYBzMYAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwIICAAADArBnjQ8yJIIAgCq AzT3TACSBCAlhwAYmCEgbtgIJvrB09GE9YhmiADI2ccQAAAIAABAAAAAAAAAAIAAAAAAAAAAAAAA AA==
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