Sodium dichloroacetate | SBID = 1069 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C2HCl2NaO2 | ||
| M / g/mol: | 150.92 | ||
| Complexity: | 64.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest
- Name: Sodium dichloroacetate
- Preferred Abbreviation: Sodium dichloroacetate
- IUPAC Name: sodium;2,2-dichloroacetate
- CAS: 2156-56-1
- CID: 517326
- InChiKey: LUPNKHXLFSSUGS-UHFFFAOYSA-M
- InChi: InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
- CanoSmiles: C(C(=O)[O-])(Cl)Cl.[Na+]
- IsoSmiles: C(C(=O)[O-])(Cl)Cl.[Na+]
