methyl 4-methoxybenzoate methyl 4-methoxybenzoate

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:121-98-2

mdl number:mfcd00008437

einecs number:204-513-2

rtecs number:bz4925000

brn number:2208571

pubchem number:24890546

physical property data

1. melting point (℃): 47.5°c

2. boiling point (ºc): 244.5°c

toxicological data

1. acute toxicity: rat oral ld50: >5gm/kg

rabbit skin ld50: >5gm/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 44.70

2. molar volume (cm³/mol): 151.3 /p>

3. isotonic specific volume (90.2k): 368.7

4. surface tension (dyne/cm): 35.2

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 17.72

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

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 35.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 148

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

none

synthesis method

none

purpose

1. use

used in pharmaceutical intermediates and organic synthesis.