Molecular Formula: 381.4
Formula Weight: C21H19NO6
Inchl Key: ULTTYPMRMMDONC-UHFFFAOYSA-N
Inchl: InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	205-215 °C
CAS:	125697-92-9
MF:	C21H19NO6
Flash_Point:	402.4ºC
Product_Name:	lavendustin A
Density:	N/A
FW:	381.37900
Bolling_Point:	741.7ºC at 760 mmHg

Vapor_Pressure:	4.23E-23mmHg at 25°C
Flash_Point:	402.4ºC
LogP:	3.41400
Bolling_Point:	741.7ºC at 760 mmHg
FW:	381.37900
PSA:	121.46000
Computational_Chemistry:	['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :5 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :72 ', '6. TPSA 122 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :517 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	205-215 °C
MF:	C21H19NO6
Exact_Mass:	381.12100
Molecular_Structure:	['1. Molar refractive index 10399 ', '2. Molar volume 255 ', '3. Parachor （902K）7757 ', '4. Surface tension 855 ', '5. Dielectric constant N/A ', '6. Polarizability 4122 ', '7. Single isotope mass 381121237 Da ', '8. Nominal mass 381 Da ', '9. Average mass 3813787 Da']
More_Info:	['1 . Appearance 无味Yellow to 棕色Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）205-215 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 可Soluble in 二甲基亚砜']