5,7-dimethoxycoumarin
Structural formula
| Business number | 0537 |
|---|---|
| Molecular formula | C11H10O4 |
| Molecular weight | 206.21 |
| label |
5,7-dimethoxycoumarin, 5,7-dimethoxycoumarin, white limonin |
Numbering system
CAS number:487-06-9
MDL number:MFCD00006870
EINECS number:207-646-4
RTECS number:GN6530000
BRN number:None
PubChem number:24847274
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): Undetermined
3. Relative vapor density (g/cm3, Air =1): Undetermined
4. Melting point (ºC):146-149
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºF): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
Mutagenicity data:Sister Chromatids exchangeTESTSystem: human lymphocytes:100 umol/L
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:53.12
2、 Molar volume（m3/mol):165.1
3、 Isotonic specific volume（90.2K）：21422.8
4、 Surface tension(3.0 dyne/cm) ：43.0
5 , Polarizability(0.5 10-24cm3 ):21.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 44.8
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 274
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
2-8°C
Seal and store in a ventilated, dry environment
Synthesis method
None
Purpose
None yet
