![(3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (CAS: 161970-71-4) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0774378.png "(3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one chemical structure")
(3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
Catalog No: FT-0774378
CAS No: 161970-71-4
- Chemical Name: (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
- Molecular Formula: C18H17NO2
- Molecular Weight: 279.3
- InChI Key: DKQMLBIEOBOMDP-AEFFLSMTSA-N
- InChI: InChI=1S/C18H17NO2/c20-17-11-12-18(15-9-5-2-6-10-15)19(17)16(13-21-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,18+/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: | 471.7ºC at 760mmHg |
|---|---|
| CAS: | 161970-71-4 |
| MF: | C18H17NO2 |
| Density: | 1.26g/cm3 |
| Melting_Point: | 78ºC |
| Product_Name: | (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one |
| Flash_Point: | 239.1ºC |
| FW: | 279.33300 |
| MF: | C18H17NO2 |
|---|---|
| Density: | 1.26g/cm3 |
| Computational_Chemistry: | ['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 295 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :398 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| More_Info: | ['1 . Appearance 淡Yellow 结晶性粉末 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）78 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| Exact_Mass: | 279.12600 |
| Vapor_Pressure: | 4.57E-09mmHg at 25°C |
| Flash_Point: | 239.1ºC |
| PSA: | 29.54000 |
| Molecular_Structure: | ['1 . Molar refractive index 8088 ', '2 . Molar volume （m3/mol）2216 ', '3 . Parachor （902K）6049 ', '4 . Surface tension 554 ', '5 . Polarizability 3206'] |
| LogP: | 3.17120 |
| Bolling_Point: | 471.7ºC at 760mmHg |
| FW: | 279.33300 |
| Refractive_Index: | 1.65 |
| Melting_Point: | 78ºC |
| Hazard_Codes: | Xn,Xi |
|---|---|
| Risk_Statements(EU): | R20/21/22 |
| Safety_Statements: | S36/37 |
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