indigo-3-oxime
structural formula
| business number | 069j |
|---|---|
| molecular formula | c8h6n2o |
| molecular weight | 162.15 |
| label |
β-indigo oxime, indoline-2,3-dione-3-oxime, woad-3-oxime, relying on oxime, indolequinone-3-oxime, 1h-indole-2,3-dione 3-oxime |
numbering system
cas number:607-28-3
mdl number:mfcd00014568
einecs number:210-132-2
rtecs number:none
brn number:136198
pubchem number:24852687
physical property data
1. physical property data
1. melting point: 228℃
toxicological data
none yet
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.
molecular structure data
5. molecular property data:
1, molar refractive index:42.12
2, molar volume (m3/mol):108.2
3, isotonic specific volume (90.2k ):304.4
4, surface tension (dyne/ cm):62.6
5、 polarizability (10-24cm3): 16.69
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.2
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: 13
6. topological molecule polar surface area 61.7
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 361
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
properties and stability:
no decomposition products may occur under normal temperatures and pressures.
storage method
storage:
seal the secret container and store it in a sealed main container in a cool place dry position.
synthesis method
none yet
purpose
none yet
