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: wi-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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