2,2′-dihydroxy-4,4′-dimethylbenzophenone

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:131-54-4

mdl number:mfcd00009606

einecs number:205-027-3

rtecs number:dj0900000

brn number:none

pubchem number:24893355

physical property data

melting point (ºc): 138

toxicological data

1. mutagenicity: salmonella gene mutation: 10ug/plate

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 73.16

2. molar volume (cm³/mol): 212.4

3. isotonic specific volume (90.2k): 570.2

4. surface tension (dyne/cm): 51.9

5. polarizability (10^-24cm³): 29.00

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 4

5. number of tautomers: 14

6. topological molecule polar surface area 76

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 302

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

none yet

synthesis method

none yet

purpose

none yet