Product Name

  • Name

    tricyclo[4.2.1.0~2,5~]nonane-3,4-dione

  • EINECS
  • CAS No. 67843-62-3
  • Density 1.309 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H10O2
  • Boiling Point 262.8 °C at 760 mmHg
  • Molecular Weight 150.1745
  • Flash Point 100.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 67843-62-3 (tricyclo[4.2.1.0~2,5~]nonane-3,4-dione)
  • Hazard Symbols
  • Synonyms anti-Tricyclo[4.2.1.02,5]nona-3,4-dione;syn-Tricyclo[4.2.1.02,5]nona-3,4-dione;Tricyclo(4.2.1.02,5)nonane-3,4-dione, anti-;
  • PSA
  • LogP

Tricyclo(4.2.1.02,5)nonane-3,4-dione, syn- Specification

The CAS register number of Tricyclo(4.2.1.02,5)nonane-3,4-dione, syn- is 67843-62-3. It also can be called as anti-Tricyclo[4.2.1.02,5]nona-3,4-dione and the systematic name about this chemical is tricyclo[4.2.1.0~2,5~]nonane-3,4-dione. The molecular formula about this chemical is C9H10O2 and the molecular weight is 150.1745.

Physical properties about Tricyclo(4.2.1.02,5)nonane-3,4-dione, syn- are: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): 0.38; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1.14; (5)ACD/BCF (pH 7.4): 1.14; (6)ACD/KOC (pH 5.5): 38.31; (7)ACD/KOC (pH 7.4): 38.31; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14 Å2; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 37.87 cm3; (12)Molar Volume: 114.7 cm3; (13)Polarizability: 15.01x10-24cm3; (14)Surface Tension: 49.4 dyne/cm; (15)Density: 1.309 g/cm3; (16)Flash Point: 100.9 °C; (17)Enthalpy of Vaporization: 50.06 kJ/mol; (18)Boiling Point: 262.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0106 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(=O)C2C1C3CCC2C3
(2)InChI: InChI=1/C9H10O2/c10-8-6-4-1-2-5(3-4)7(6)9(8)11/h4-7H,1-3H2
(3)InChIKey: ORYDRYMEZOIOGV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H10O2/c10-8-6-4-1-2-5(3-4)7(6)9(8)11/h4-7H,1-3H2
(5)Std. InChIKey: ORYDRYMEZOIOGV-UHFFFAOYSA-N

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