2-Methoxyphenylacetic acid 2-Methoxyphenylacetic acid
Structural formula
| Business number | 0261 |
|---|---|
| Molecular formula | C9H10O3 |
| Molecular weight | 166.17 |
| label |
o-Methoxyphenylacetic acid, 2-Methoxyphenylacetic acid, o-Methoxyphenylessigsαure, Ortho methoxy phenyl acetic acid |
Numbering system
CAS number:93-25-4
MDL number:MFCD00004321
EINECS number:202-231-4
RTECS number:None
BRN number:2047573
PubChem number:202-231-4
Physical property data
1. Characteristics: light yellow crystalline powder.
2. Density (g/mL,25/4℃)： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):120 -122
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. 17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index:44.04
2. Molar volume (m3/mol):140.8
3. Isotonic specific volume (90.2K):362.3
4. Surface tension (dyne/cm):43.7
5. Polarizability(10-24cm3）：17.46
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: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 156
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 stored in a sealed, cool and dry place.
Synthesis method
None
Purpose
Organic synthesis.
NT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-bidi-font-family: Arial; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial”>isotonic ratio ( 90.2K）：362.3
4. Surface tension (dyne/cm):43.7
5. Polarizability(10-24cm3）：17.46
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: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 156
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 stored in a sealed, cool and dry place.
Synthesis method
None
Purpose
Organic synthesis.