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Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)-

  • Name Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)-
  • EINECSN/A
  • CAS No. 7434-96-0
  • Density1.179 g/cm3
  • PSA17.07000
  • LogP3.14100
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC14H12O
  • Boiling Point373.8 °C at 760 mmHg
  • Molecular Weight196.249
  • Flash Point166 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 7434-96-0 (1-(1,2-DIHYDROACENAPHTHYLEN-3-YL)ETHANONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data19

Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)- Specification

The Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)-, with the CAS registry number 7434-96-0, is also known as 1-(1,2-Dihydroacenaphthylen-3-yl)ethan-1-one. This chemical's molecular formula is C14H12O and molecular weight is 196.2445. What's more, both its IUPAC name and systematic name are the same which is called 1-(1,2-Dihydroacenaphthylen-3-yl)ethanone.

Physical properties about Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 340.4; (6)ACD/BCF (pH 7.4): 340.4; (7)ACD/KOC (pH 5.5): 2259.47; (8)ACD/KOC (pH 7.4): 2259.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 61.68 cm3; (15)Molar Volume: 166.4 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.179 g/cm3; (18)Flash Point: 166 °C; (19)Enthalpy of Vaporization: 62.11 kJ/mol; (20)Boiling Point: 373.8 °C at 760 mmHg; (21)Vapour Pressure: 8.75E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2ccc1cccc3c1c2CC3)C
(2) InChI: InChI=1/C14H12O/c1-9(15)12-7-5-10-3-2-4-11-6-8-13(12)14(10)11/h2-5,7H,6,8H2,1H3
(3) InChIKey: XYMJPWIZLGKEEO-UHFFFAOYAU

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