3-{[3-(3,4-Dihydroxyphenyl)acryloyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid
Catalog No: FT-0686663
CAS No: 906-33-2
- Molecular Formula: 354.31
- Formula Weight: C16H18O9
- Inchl Key: CWVRJTMFETXNAD-NXLLHMKUSA-N
- Inchl: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | N/A |
|---|---|
| CAS: | 906-33-2 |
| MF: | C16H18O9 |
| Flash_Point: | 245.5±25.0 °C |
| Product_Name: | Neochlorogenic acid |
| Density: | 1.7±0.1 g/cm3 |
| FW: | 354.309 |
| Bolling_Point: | 665.0±55.0 °C at 760 mmHg |
| Refractive_Index: | 1.690 |
|---|---|
| Vapor_Pressure: | 0.0±2.1 mmHg at 25°C |
| Flash_Point: | 245.5±25.0 °C |
| LogP: | -0.36 |
| Bolling_Point: | 665.0±55.0 °C at 760 mmHg |
| FW: | 354.309 |
| PSA: | 164.75000 |
| Computational_Chemistry: | ['1. XlogP :-04 ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :9 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :16 ', '6. TPSA 165 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :534 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :4 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| MF: | C16H18O9 |
| Exact_Mass: | 354.095093 |
| Molecular_Structure: | ['1 . Molar refractive index 8203 ', '2 . Molar volume 2145 ', '3 . Parachor （902K）6817 ', '4 . Surface tension 1019 ', '5 . Polarizability 3252'] |
| Density: | 1.7±0.1 g/cm3 |
| RIDADR: | NONH for all modes of transport |
|---|
