ethyl p-toluate

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:94-08-6

mdl number:mfcd00009117

einecs number:202-301-4

rtecs number:none

brn number:1863756

pubchem number:24850416

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 47.48

2. molar volume (cm³/mol): 160.1

3. isotonic specific volume (90.2k ): 389.5

4. surface tension (dyne/cm): 35.0

5. polarizability (10-24cm3): 18.82

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 2.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 26.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 146

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 number: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet