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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

Resource:allhdi.com