structural formula
| business number | 03n9 |
|---|---|
| molecular formula | c12h14n2o5 |
| molecular weight | 266.45 |
| label |
4,6-dinitrophoscyclohexylphenol, dinitrohexanol, 2-cyclohexyl-4,6-dinitrophenol, pedinex, aromatic compounds, acaricide |
numbering system
cas number:131-89-5
mdl number:mfcd00242897
einecs number:205-042-5
rtecs number:none
brn number:none
pubchem number:24851132
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1, moore refractive index: 67.08
2、 molar volume (m3/mol ):192.7
3、 isotonic specific volume (90.2k) ：539.6
4, surface tension (dyne/cm):61.4
5、 polarizability (10-24cm3):26.59
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers: 4
6. topological molecule polar surface area 112
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 345
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
font-family: arial; mso-font-kerning: 0pt”>10-24cm3) ：26.59
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers: 4
6. topological molecule polar surface area 112
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 345
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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