sodium benzoate | SBID = 2352 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | 40.13 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 2.53 | ||
| 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: | C7H5NaO2 | ||
| M / g/mol: | 144.1 | ||
| Complexity: | 108.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: sodium benzoate
- Preferred Abbreviation: sodium benzoate
- IUPAC Name: sodium;benzoate
- CAS:
- CID: 517055
- InChiKey: WXMKPNITSTVMEF-UHFFFAOYSA-M
- InChi: InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
- CanoSmiles: C1=CC=C(C=C1)C(=O)[O-].[Na+]
- IsoSmiles: C1=CC=C(C=C1)C(=O)[O-].[Na+]
