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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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