structural formula
| business number | 03jb |
|---|---|
| molecular formula | ch5aso3 |
| molecular weight | 140 |
| label |
herbicide |
numbering system
cas number:124-58-3
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
acute toxicity data
rat oral ld50: 961 mg /kg
mouse oral ld50: 1800 mg /kg
mouse skinld50：794 mg/ kg
mutagenicity data:
human fibroblasts1400 umol/l
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation ( xlogp):
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers:
6. topological molecular polar surface area (tpsa):57.5
7. number of heavy atoms: 5
8. surface charge: 0
9. complexity: 61.3
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
7pt ‘times new roman'”> surface charge ：0
9. complexity: 61.3
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
