2,4,5-T-Butyl ester 2,4,5-T-Butyl

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:93-79-8

MDL number:None

EINECS number:202-277-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

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Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 72.55

2. Molar volume (cm³/mol): 235.3

3. Isotonic specific volume (90.2K ): 595.2

4. Surface tension (dyne/cm): 40.9

5. Polarizability (10-24cm3): 28.76

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: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 263

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 yet

Storage method

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Synthesis method

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Purpose

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