anthraquinone-2-carboxylic acid
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
