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
