2,3-Benzofurandicarboxylic acid
Structural formula
| Business number | 03N8 |
|---|---|
| Molecular formula | C10H6O5 |
| Molecular weight | 206.15 |
| label |
Benzene[B]furan-2,3-dicarboxylic acid, 1-Benzofuran-2,3-dicarboxylic acid, aromatic compounds |
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
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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
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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