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
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Purpose
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