2-(CARBOXYMETHYLTHIO)BENZOIC ACID
Catalog No: FT-0610835
CAS No: 135-13-7
- Molecular Formula: 212.22
- Formula Weight: C9H8O4S
- Inchl Key: GMBZSYUPMWCDGK-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| FW: | 212.22200 |
|---|---|
| CAS: | 135-13-7 |
| Melting_Point: | 208 °C |
| Bolling_Point: | 423ºC at 760 mmHg |
| MF: | C9H8O4S |
| Product_Name: | 2-(carboxymethylsulfanyl)benzoic acid |
| Flash_Point: | 209.6ºC |
| Density: | 1.49 g/cm3 |
| FW: | 212.22200 |
|---|---|
| MF: | C9H8O4S |
| Flash_Point: | 209.6ºC |
| LogP: | 1.56150 |
| Bolling_Point: | 423ºC at 760 mmHg |
| Exact_Mass: | 212.01400 |
| PSA: | 99.90000 |
| Computational_Chemistry: | ['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 999 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :229 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Vapor_Pressure: | 6.55E-08mmHg at 25°C |
| Density: | 1.49 g/cm3 |
| Melting_Point: | 208 °C |
| Molecular_Structure: | ['分子性质数据 ', '1 . Molar refractive index 5195 ', '2 . Molar volume （m3/mol）1424 ', '3 . Parachor （902K）4187 ', '4 表面张力（30 dyne/cm）747 ', '5 . Polarizability （05 10 -24cm 3）2059'] |
| RTECS: | DG4975500 |
|---|---|
| Hazard_Codes: | T |
| HS_Code: | 2930909090 |
| Safety_Statements: | S22-S24/25 |
