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Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl-

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  • Name Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl-
  • EINECS431-490-8
  • CAS No. 79876-59-8
  • Density1.111 g/cm3
  • PSA74.22000
  • LogP4.44050
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC22H30O6Si
  • Boiling Point493.397 °C at 760 mmHg
  • Molecular Weight418.562
  • Flash Point252.198 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 79876-59-8 (2-Hydroxy-4-(3-triethoxysilylpropoxy)diphenylketone)
  • Hazard SymbolsN/A
  • SynonymsN/A

Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl- Specification

The Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl-, with the CAS registry number 79876-59-8, is also known as 4-(3-Triethoxysilylpropoxy)-2-hydroxybenzophenone. Its EINECS registry number is 431-490-8. This chemical's molecular formula is C22H30O6Si and molecular weight is 418.5555. What's more, its systematic name is called {2-Hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl}(phenyl)methanone.

Physical properties about Methanone,[2-hydroxy-4-[3-(triethoxysilyl)propoxy]phenyl]phenyl- are: (1)ACD/LogP: 6.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8619; (6)ACD/BCF (pH 7.4): 5210; (7)ACD/KOC (pH 5.5): 22779; (8)ACD/KOC (pH 7.4): 13769; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 74.22 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 115.622 cm3; (15)Molar Volume: 376.858 cm3; (16)Surface Tension: 37.896 dyne/cm; (17)Density: 1.111 g/cm3; (18)Flash Point: 252.198 °C; (19)Enthalpy of Vaporization: 78.941 kJ/mol; (20)Boiling Point: 493.397 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1O)OCCC[Si](OCC)(OCC)OCC)c2ccccc2
(2) InChI: InChI=1/C22H30O6Si/c1-4-26-29(27-5-2,28-6-3)16-10-15-25-19-13-14-20(21(23)17-19)22(24)18-11-8-7-9-12-18/h7-9,11-14,17,23H,4-6,10,15-16H2,1-3H3
(3) InChIKey: CCGWVKHKHWKOIQ-UHFFFAOYAK

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