5-methylisatin
Structural formula
| Business number | 06A0 |
|---|---|
| Molecular formula | C9H7NO2 |
| Molecular weight | 161.16 |
| label |
5-methyl-2,3-indoledione, 5-methylindole-2,3-dione, 5-Methylindole-2,3-dione |
Numbering system
CAS number:608-05-9
MDL number:MFCD00005721
EINECS number:210-152-1
RTECS number:NL7939300
BRN number:123738
PubChem number:24896609
Physical property data
1. Characteristics: purple-red Crystal
2. Melting point:184-188℃
Toxicological data
None yet
Ecological data
3. Ecological data:
1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:42.24 2, Molar volume (m3/mol):123.8 3, Isotonic specific volume (90.2K):329.3 4、 Surface tension (dyne/cm):50.0 5, Polarizability (10-24cm3 ):16.74
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 15
6. Topological molecule polar surface area 46.2
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 237
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
1. Properties: This product is purple-red crystal.
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