Structural formula
| Business number | 02BG |
|---|---|
| Molecular formula | C6H6O7S2 |
| Molecular weight | 254.24 |
| label |
4-Hydroxy-1,3-benzenedisulfonic acid, 4-Hydroxybenzenedisulfonicacid |
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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