2,3-benzofurandicarboxylic acid

structural formula

• 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:131-76-0

mdl number:mfcd05863264

einecs number:none

rtecs number:none

brn number:none

pubchem number:24883220

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1, moore refractive index: 50.25

2、 molar volume (m³/mol):131.4

3、 isotonic specific volume (90.2k) ：389.3

4, surface tension (dyne/cm):77.0

5、 polarizability (10^-24cm³):19.92

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 87.7

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 288

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

mily: arial; mso-font-kerning: 0pt; mso-ascii-font-family: arial; mso-hansi-font-family: arial”>):19.92

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 87.7

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 288

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