Structural formula
| Business number | 03A4 |
|---|---|
| Molecular formula | C6H6O8 |
| Molecular weight | 206.11 |
| label |
Heterocyclic compounds |
Numbering system
CAS number:118-76-3
MDL number:MFCD00149072
EINECS number:204-276-5
RTECS number:None
BRN number:None
PubChem number:24848033
Physical property data
1. Character: Undetermined
2. Density (g/mL,25℃): Undetermined
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point ( ºC): 248 (decomposition)
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
Spontaneous ignition point or ignition Ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
p>
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 109
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 313
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
-18pt; TEXT-ALIGN: left; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt; mso-pagination: widow-orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt : auto” align=left>18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
p>
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 109
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 313
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
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