Structural formula
| Business number | 0267 |
|---|---|
| Molecular formula | C10H12O4 |
| Molecular weight | 196.2 |
| label |
3,4-Dimethoxyphenylacetic acid, (3,4-Dimethoxyphenyl)acetic acid, 3,4-Dimethoxyphenylacetic acid, (3,4-dimethoxy)acetic acid, (3,4-Dimethoxyphenyl)acetic acid |
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): Not determined
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. ?
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