2-methoxyphenylacetic acid 2-methoxyphenylacetic 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: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.