o-Carboxyphenylacetic acid
Structural formula
| Business number | 020S |
|---|---|
| Molecular formula | C9H8O4 |
| Molecular weight | 180.16 |
| label |
α-Carboxy o-toluic acid, 2-Carboxyphenylacetic acid, α-Carboxy-o-toluic acid, 2-Carboxyphenylacetic acid, HO2CCH2C6H4CO2H |
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.