Structural formula
| Business number | 0396 |
|---|---|
| Molecular formula | C15H8O4 |
| Molecular weight | 252.22 |
| label |
9,10-Dihydro-9,10-dioxo-2-anthracenecarboxylic acid, anthracene compounds, aromatic compounds |
Numbering system
CAS number:117-78-2
MDL number:MFCD00001231
EINECS number:204-207-9
RTECS number:None
BRN number:None
PubChem number:24855233
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):287-289
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): 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 limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1, Moore Refractive index: 65.59
2, Moore Volume (m3/mol):171.5
3、 Isotonic specific volume (90.2K) ：495.2
4, Surface Tension (dyne/cm):69.4
5、 Polarizability (10-24cm3):26.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 71.4
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 428
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
NT-SIZE: 9pt; COLOR: #304e00; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-bidi-font-family: Arial; mso-font-kerning: 0pt; -family: Arial”>Isotonic specific volume (90.2 K):495.2
4, Surface Tension (dyne/cm):69.4
5、 Polarizability (10-24cm3):26.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 71.4
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 428
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
