[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
Catalog No: FT-0774263
CAS No: 24502-79-2
- Chemical Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
- Molecular Formula: C21H22O6
- Molecular Weight: 370.4
- InChI Key: BATBOVZTQBLKIL-QGZVFWFLSA-N
- InChI: InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 653.2±55.0 °C at 760 mmHg |
|---|---|
| CAS: | 24502-79-2 |
| MF: | C21H22O6 |
| Density: | 1.3±0.1 g/cm3 |
| Melting_Point: | 103ºC |
| Product_Name: | (β,β-DIMETHYLACRYL)SHIKONIN |
| Flash_Point: | 362.8±28.0 °C |
| FW: | 370.396 |
| MF: | C21H22O6 |
|---|---|
| Density: | 1.3±0.1 g/cm3 |
| Computational_Chemistry: | ['1 . XlogP 5 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 12 ', '6 . TPSA 101 ', '7 重原子数27 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 706 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1'] |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)103 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)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(kpa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)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 Unknow'] |
| Exact_Mass: | 370.141632 |
| Vapor_Pressure: | 0.0±2.1 mmHg at 25°C |
| Flash_Point: | 362.8±28.0 °C |
| PSA: | 100.90000 |
| Molecular_Structure: | ['1 . Molar refractive index 9916 ', '2 . Molar volume (m3/mol)2918 ', '3 . Parachor (902K)7892 ', '4 . Surface tension 534 ', '5 . Polarizability (10 -24cm 3)3931'] |
| LogP: | 4.45 |
| Melting_Point: | 103ºC |
| Bolling_Point: | 653.2±55.0 °C at 760 mmHg |
| FW: | 370.396 |
| Refractive_Index: | 1.616 |
| RTECS: | EM9252400 |
|---|---|
| HS_Code: | 2916129000 |
| Safety_Statements: | 22-24/25 |
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