(R)-(+)-2-BENZYLOXYPROPIONIC ACID CAS100836-85-9

Details:

Density 1.15g/cm3
Boiling point 328.2ºC at 760mmHg
Melting point 52-55ºC
Molecular formula C10H12O3
Molecular weight 180.20000
Flash point 130.4ºC
Accurate mass 180.07900
PSA 46.53000
LogP 1.67630
Vapor pressure 7.79E-05mmHg at 25°C
Refractive index 1.529
Storage condition
Sealed storage, store in a cool, dry warehouse. Stay away from oxidants.

stability
Stable at room temperature and pressure, avoid contact with strong oxidants.

Molecular structure
1, molar refractive index: 48.33

2, molar volume (cm3/mol) : 156.6

3. Isotropic specific volume (90.2K) : 402.2

4, surface tension (dyne/cm) : 43.5

5, dielectric constant: no use

6. Polarizability (10-24cm3) : 19.16

7. Single isotope mass: 180.078644 Da

8. Nominal quality: 180 Da

9. Average quality: 180.2005 Da

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :1.6

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 :13

8. Surface charge :0

9. Complexity :162

10. Number of isotope atoms :0

11. Determine the number of atomic stereocenter :1

12. Number of uncertain atomic stereocentes :0

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

14. Number of uncertain chemical bond stereocenter :0

15. Number of covalent bond units :1

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