METHYL (R)-(+)-3-BROMO-2-METHYLPROPIONATE cas110556-33-7

Details:

Density 1.4± 0.1g /cm3
Boiling point 173.7±0.0 °C at 760 mmHg
The molecular formula
Molecular weight 181.028
Flash point 73.9±0.0 °C
Precise mass 179.978592
PSA 26.30000
LogP is 1.50
Vapor pressure 1.3±0.3 mmHg at 25°C
Refractive index 1.454
Storage condition
Store sealed in a cool, dry warehouse.

stability
Stable at normal temperature and pressure, avoid contact with strong oxidant.

Molecular structure
1. Molar refractive index: 34.67

2, molar volume (cm3/mol) : 128.1

3. Isotropic volume (90.2K) : 305.3

4. Surface tension (dyne/cm) : 32.2

5. Dielectric constant: unavailable

6. Polarization (10-24cm3) : 13.74

7. Single isotope mass: 179.978585 Da

8. Nominal quality: 180 Da

9. Average quality: 181.0278 Da

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.4

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :3

5. Number of tautomers: None

6. Topological molecular polar surface area 26.3

7. Number of heavy atoms :8

8. Surface charge :0

9. Complexity :82.5

10. Number of isotope atoms :0

11. Determine the number of atomic constitutive centers :1

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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