2,6-Bis(hydroxymethyl)p-cresol

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:91-04-3

MDL number:MFCD00004619

EINECS number:202-036-4

RTECS number:CZ6440000

BRN number:1240237

PubChem number:24853637

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 45.86

2. Molar volume (cm³/mol): 131.7

3. Isotonic specific volume (90.2K ): 367.0

4. Surface tension (dyne/cm): 60.1

5. Polarizability (10-24cm3): 18.18

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.7

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 60.7

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7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 124

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None