Toluene diisocyanate manufacturer Knowledge 2,3-Benzofurandicarboxylic acid

2,3-Benzofurandicarboxylic acid

2,3-Benzofurandicarboxylic acid structural formula

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

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

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