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Lysionotin

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  • Name Lysionotin
  • EINECSN/A
  • CAS No. 152743-19-6
  • Density1.387g/cm3
  • PSA98.36000
  • LogP2.89700
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC18H16O7
  • Boiling Point615 °C at 760 mmHg
  • Molecular Weight344.317
  • Flash Point227 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 152743-19-6 (Lysionotin)
  • Hazard SymbolsN/A
  • SynonymsN/A

Lysionotin Specification

The Lysionotin, with CAS registry number 152743-19-6, has the systematic name of 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one. Besides this, it is also called 4H-1-benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-. And the chemical formula of this chemical is C18H16O7.

Physical properties of Lysionotin: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 12.46; (6)ACD/BCF (pH 7.4): 1.62; (7)ACD/KOC (pH 5.5): 207.27; (8)ACD/KOC (pH 7.4): 26.97; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 88 cm3; (15)Molar Volume: 248.1 cm3; (16)Polarizability: 34.88×10-24cm3; (17)Surface Tension: 57 dyne/cm; (18)Enthalpy of Vaporization: 94.59 kJ/mol; (19)Vapour Pressure: 1.02E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccc(OC)cc2)c(OC)c(O)c(OC)c3O
(2)InChI: InChI=1/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
(3)InChIKey: KRFBMPVGAYGGJE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
(5)Std. InChIKey: KRFBMPVGAYGGJE-UHFFFAOYSA-N

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