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中文简体Toxicological data
1. Irritation: Rabbit eyes: 100mg, mild irritation.
2. Acute toxicity: rat oral LD50: 500mg/kg
Ecological data
This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.
Molecular structure data
1. Molar refractive index: 86.39
2. Molar volume (cm3/mol): 246.0
3. Isotonic specific volume (90.2K): 675.7
4. Surface tension (dyne/cm): 56.9
5. Dielectric constant:
6. Dipole distance (10-24cm3):
7. Polarizability: 34.24
Computational chemistry data
1. Hydrophobic parameter calculation reference value (XlogP): none
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: none
6. Polar surface area of topological molecules 121
7. Number of heavy atoms: 16
8.Surface charge: 0
9. Complexity: 201
10. Number of isotope atoms: 0
11.Determine the number of atomic stereo centers: 0
12. Uncertain the number of atomic stereo centers: 0
13.Determine the number of chemical bond stereo centers: 0
14. Uncertain the number of chemical bond stereo centers: 0
15.Number of covalent bond units: 1
