sodium;octane-1-sulfonate | SBID = 2707 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 65.6 | ||
| Ertl TPSA/Å2: | 57.2 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 2.53 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H17NaO3S | ||
| M / g/mol: | 216.28 | ||
| Complexity: | 184.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: sodium;octane-1-sulfonate
- Preferred Abbreviation: sodium 1-octanesulfonate
- IUPAC Name: sodium;octane-1-sulfonate
- CAS: 207596-29-0
- CID: 23669624
- InChiKey: HRQDCDQDOPSGBR-UHFFFAOYSA-M
- InChi: InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
- CanoSmiles: CCCCCCCCS(=O)(=O)[O-].[Na+]
- IsoSmiles: CCCCCCCCS(=O)(=O)[O-].[Na+]
