o-Cresolphthalein complexone disodium salt
Catalog No: FT-0629371
CAS No: 94442-10-1
- Chemical Name: o-Cresolphthalein complexone disodium salt
- Molecular Formula: C32H31N2NaO12
- Molecular Weight: 658.6
- InChI Key: URMSJFDNSPGTSG-XVSWSKOJSA-M
- InChI: InChI=1S/C32H32N2O12.Na/c1-17-7-19(9-21(30(17)43)11-33(13-25(35)36)14-26(37)38)29(23-5-3-4-6-24(23)32(45)46)20-8-18(2)31(44)22(10-20)12-34(15-27(39)40)16-28(41)42;/h3-10,43H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,45,46);/q;+1/p-1/b29-20-;
| 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 |
| Product_Name: | sodium,2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]benzoate |
|---|---|
| Flash_Point: | 528ºC |
| Melting_Point: | N/A |
| FW: | 680.56600 |
| Density: | N/A |
| CAS: | 94442-10-1 |
| Bolling_Point: | 949.5ºC at 760mmHg |
| MF: | C32H30N2Na2O12 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :5 ', '3. Hydrogen Bond Acceptor Count :14 ', '4. Rotatable Bond Count :15 ', '5. Isotope Atom Count :4 ', '6. TPSA 233 ', '7. Heavy Atom Count :47 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1290 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2'] |
|---|---|
| Flash_Point: | 528ºC |
| FW: | 680.56600 |
| PSA: | 228.10000 |
| MF: | C32H30N2Na2O12 |
| Bolling_Point: | 949.5ºC at 760mmHg |
| Exact_Mass: | 680.15900 |
