Squaric acid dianion | SBID = 1962 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 80.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 77.8 | ||
| Sum Formula: | C4O4-2 | ||
| M / g/mol: | 112.04 | ||
| Complexity: | 141.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: anion, typical guest, charged
- Name: Squaric acid dianion
- Preferred Abbreviation: Squarate
- IUPAC Name: 3,4-dioxocyclobutene-1,2-diolate
- CAS:
- CID: 46878493
- InChiKey: PWEBUXCTKOWPCW-UHFFFAOYSA-L
- InChi: InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H/p-2
- CanoSmiles: C1(=C(C(=O)C1=O)[O-])[O-]
- IsoSmiles: C1(=C(C(=O)C1=O)[O-])[O-]
