o-carboxyphenylacetic acid

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:89-51-0

mdl number:mfcd00004326

einecs number:201-913-9

rtecs number:cy1575590

brn number:1872069

pubchem number:24895468

physical property data

1. properties: beige to light green powder.

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

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

4. melting point (ºc): 183～186

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 determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (kpa, 25ºc): not determined

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. log 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 ethanol, slightly soluble in water , ether.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 44.29

2. molar volume (cm³/mol): 129.4

3. isotonic specific volume (90.2k ): 367.7

4. surface tension (dyne/cm): 65.2

5. polarizability (10-24cm3): 17.56

compute chemical data

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

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. yes�number of converted chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 74.6

7. number of heavy atoms :13

8. surface charge: 0

9. complexity: 212

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

produced by the reaction of indene and concentrated sulfuric acid.

purpose

used in organic synthesis. ​​