ethyl p-toluate
structural formula
| business number | 0276 |
|---|---|
| molecular formula | c10h12o2 |
| molecular weight | 164.20 |
| label |
ethyl para-toluate, benzoic acid, p-toluylic acid ethyl ester, ch3c6h4co2c2h5 |
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
