methyl isobutyl ketone oxime 4-methyl-2-pentanone oxime

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:105-44-2

mdl number:mfcd00013933

einecs number:203-298-2

rtecs number:sa9450000

brn number:none

pubchem id:none

physical property data

none

toxicological data

acute toxicity: mouse oral ld50: >2mg/kg; mouse peritoneal cavity ld50: 200mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 33.54

2. molar volume (cm³/mol): 128.1

3. isotonic specific volume (90.2k ): 288.8

4. surface tension (dyne/cm): 25.8

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 13.29

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 1.5

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecular polar surface area (tpsa): 32.6

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 86.5

10. number of isotope atoms : 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 1

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none