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