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

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Synthesis method

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Purpose

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