coyne

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Coyne structural formula

Structural formula

Business number 051W
Molecular formula C15H10O4
Molecular weight 254.24
label

Chrysin; 5,7-dihydroxyflavone

Numbering system

CAS number:480-40-0

MDL number:MFCD00006834

EINECS number:207-549-7

RTECS number:LK8329050

BRN number:233276

PubChem number:24893009

Physical property data

1. Character:Light yellow powder


2. Density (g/ m3,25/4): Undetermined


3. Relative vapor density (g/cm3 ,AIR=1): Undetermined


4. Melting point (ºC):284-286


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturation 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: inhibitionTEST system for DNA: human fibroblasts: 100ml/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:


2 Molar Volumem3/mol)176.1


3 Isotonic specific volume (90.2K):506.1


4 Surface tensiondyne/cm68.2


5 Polarizability(10-24cm326.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 12

6. Topological molecule polar surface area 66.8

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 384

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

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

Synthesize raw materials for anti-cancer, lowering blood lipids, preventing cardiovascular and cerebrovascular diseases, antibacterial, anti-inflammatory and other pharmaceutical ingredients.

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