structural formula

business number	02bg
molecular formula	c6h6o7s2
molecular weight	254.24
label	4-hydroxy-1,3-benzenedisulfonic acid, 4-hydroxybenzenedisulfonicacid

• 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:96-77-5

mdl number:none

einecs number:202-533-6

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 48.98

2. molar volume (cm³/mol): 133.4

3. isotonic specific volume (90.2k ): 410.3

4. surface tension (dyne/cm): 89.5

5. polarizability (10-24cm3): 19.41

compute chemical data

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

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 146

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 411

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

storage method

none

synthesis method

none

purpose

none

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