![2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS: 6052-68-2) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0705298.png "2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid chemical structure")
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Catalog No: FT-0705298
CAS No: 6052-68-2
- Chemical Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- Molecular Formula: C12H12N2O2
- Molecular Weight: 216.24
- InChI Key: FSNCEEGOMTYXKY-UHFFFAOYSA-N
- InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
| 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: | 485ºC at 760 mmHg |
|---|---|
| CAS: | 6052-68-2 |
| MF: | C12H12N2O2 |
| Density: | 1.377g/cm3 |
| Melting_Point: | 289ºC (dec.)(lit.) |
| Product_Name: | 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Flash_Point: | 247.1ºC |
| FW: | 216.23600 |
| PSA: | 65.12000 |
|---|---|
| Density: | 1.377g/cm3 |
| MF: | C12H12N2O2 |
| LogP: | 1.59560 |
| Computational_Chemistry: | ['1. XlogP :-12 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA :651 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :295 ', '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'] |
| Exact_Mass: | 216.09000 |
| Bolling_Point: | 485ºC at 760 mmHg |
| Flash_Point: | 247.1ºC |
| FW: | 216.23600 |
| Refractive_Index: | 1.692 |
| Melting_Point: | 289ºC (dec.)(lit.) |
| Hazard_Codes: | Xi |
|---|---|
| HS_Code: | 2933990090 |
| Risk_Statements(EU): | 36/37/38 |
| Safety_Statements: | 26-36 |
