CHALCONE ALPHA,BETA-EPOXIDE CAS5411-12-1

Details:

Density 1.2± 0.1g /cm3
Boiling point 374.1±42.0 °C at 760 mmHg
Melting point 88-90°C
Molecular formula C15H12O2
Molecular weight 224.255
Flash point 174.0±21.4 °C
Accurate mass 224.083725
PSA 29.60000
LogP is 2.72
Appearance character solid; White to Almost white powder to crystal
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index 1.617
Storage condition
Store in a cool, dry place away from light and sealed

stability
Stable at normal temperature and pressure

Molecular structure
Molecular property data:

1. Molar refractive index: 64.91

2, molar volume (m3/mol) : 185.4

3. Isographic volume (90.2K) : 497.7

4. Surface tension (dyne/cm) : 51.8

5. Polarization (10-24cm 3) : 25.73

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 2.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 3

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA) : 29.6

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 275

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 0

12. Number of uncertain atomic constitutive centers: 2

13. Determine the number of chemical bond structure centers: 0

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

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