Methyl 4-methylsalicylate CAS4670-56-8

Details:

Density 1.2 ± 0.1 g/cm3
Boiling point 241.1 ± 20.0 ° C at 760 mmHg
Molecular formula C9H10O3
Molecular weight 166.174
Flash point 97.8 ± 14.5 ° C
Accurate quality 166.062988
PSA 46.53000
LogP 2.69
Steam pressure 0.0 ± 0.5 mmHg at 25 ° C
Refractive index 1.542
Storage conditions
Room temperature, dark, ventilated and dry place, sealed for storage
Stability
Stable and colorless transparent liquid at room temperature and pressure
Molecular structure
1. Molar refractive index: 44.73
2. Molar volume (m3/mol): 142.0
3. Isometric volume (90.2K): 364.7
4. Surface tension (dyne/cm): 43.5
5. Polarization rate (10-24cm 3): 17.73
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond receptors: 3
4. Number of rotatable Chemical bond: 2
5. Number of Tautomer: 12
6. Topological molecule Polar surface area 46.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 167
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond structure centers: 0
15. Number of Covalent bond units: 1

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