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