Oxobutanedioic acid cas328-42-7

Details:

Density 1.6± 0.1g /cm3
Boiling point 341.9±25.0 °C at 760 mmHg
Melting point 161 °C (dec.)(lit.)
Molecular formula C4H4O5
Molecular weight 132.072
Flash point 174.8±19.7 °C
Accurate mass 132.005875
PSA 91.67000
LogP minus 1.60
Appearance character grayish white crystal
Vapor pressure 0.0±1.6 mmHg at 25°C
Refractive index 1.498
Storage condition
Storage temperature 4ºC

stability
1. It exists in tobacco leaves.

Water soluble soluble
Molecular structure
1. Molar refractive index: 23.73

2, molar volume (cm3/mol) : 80.9

3. Isographic volume (90.2K) : 239.9

4. Surface tension (dyne/cm) : 77.2

5. Polarization (10-24cm3) : 9.41

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :-0.6

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :5

4. Number of rotatable bonds :3

5. Number of tautomers :3

6. Topological molecular polar surface area 91.7

7. Number of heavy atoms :9

8. Surface charge :0

9. Complexity :158

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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