hosveratrile acid 3,4-dimethoxyphenylacetic aicd

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:93-40-3

mdl number:mfcd00004335

einecs number:202-244-5

rtecs number:ah0675000

brn number:1110282

pubchem number:24893270

physical property data

1. properties: products containing one molecule of crystal water are needle-shaped crystals. the product that precipitates from benzene or petroleum ether is anhydrous.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 80～82℃ (98～99℃, anhydrous).

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition combustion temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. logarithmic value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in water, ethanol and ether.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 50.72

2. molar volume (cm³/mol): 164.8

3. isotonic specific volume (90.2k ): 419.0

4. surface tension (dyne/cm): 41.7

5. polarizability (10-24cm3): 20.10

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 55.8

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 193

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be kept sealed.

synthesis method

none

purpose

used in organic synthesis. ​