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. ​​