2-BENZYLOXYBENZOIC ACID CAS14389-86-7

Details:

Density 1.2± 0.1g /cm3
Boiling point 397.6±17.0 °C at 760 mmHg
Melting point 76-78°C
Molecular formula C14H12O3
Molecular weight 228.243
Flash point 152.9±14.4 °C
Accurate mass 228.078644
PSA 46.53000
LogP 3.15
Vapor pressure 0.0±1.0 mmHg at 25°C
Refractive index 1.606
Storage condition
Room temperature closed light, ventilated and dry

stability
Stable at normal temperature and pressure

Materials to avoid: alkali oxide

Molecular structure
1. Molar refractive index: 64.34

2. Molar volume (m3/mol) : 186.6

3. Isotropic volume (90.2K) : 498.2

4. Surface tension (dyne/cm) : 50.7

5. Polarization (10-24cm3) : 25.50

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :4

5. Number of tautomers: None

6. Topological molecular polar surface area 46.5

7. Number of heavy atoms :17

8. Surface charge :0

9. Complexity :246

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

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

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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