CAS 544-17-2 · C₂H₂CaO₄ · MolGod PREDICTED 3D molecular model (computed by MolGod Scientific, not verified)
Calcium formate (CAS 544-17-2) — MolGod molecule record: properties, safety, literature and sources for this substance.
No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.
This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.
undetermined.
A Creative Commons license may only be applied by a party holding the necessary
rights, so this record documents provenance but does not yet grant a license.| CAS Registry Number | 544-17-2 |
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| Name source | cache cas-*.json field "title" (angielski) |
| Molecular formula | C₂H₂CaO₄ |
| PubChem CID | 10997 |
| InChIKey | CBOCVOKPQGJKKJ-UHFFFAOYSA-L |
| Wikidata | Q221123 |
| MolGod molecule record | Calcium formate (CAS 544-17-2) — molecule record |
| Source | PubChem (source record type not recorded for this substance) |
|---|---|
| Endpoint | Not recorded in the MolGod cache entry for this substance. |
| Dimensionality | 2d |
| Retrieved | 2026-09-03 17:46:58 |
| Atoms / bonds | 9 / 6 |
| Modification | PREDICTED geometry. Atomic coordinates were computed by MolGod Scientific (RDKit ETKDGv3 + force field) from the structural formula, because no source 3-D conformer was available. They are not measured, not from PubChem and not verified. |
3-D model not built yet. A predicted conformer exists, but Ca has no van der Waals radius in our sourced radius table MG2. We do not substitute a default size; the model will be built once a radius with a cited source is added. Once published, this record will carry its hash, size and pipeline version.
| Source representation | PubChem record used for identity and connectivity only (SMILES, InChIKey). no source 3D conformer was available to MolGod for this substance; the geometry is a PREDICTED conformer computed by MolGod Scientific and is not verified. |
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| Source rights basis | NCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold. |
| Rights assessment | undetermined — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25). |
| Assessment scope | This assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else. |
| Source URL | PubChem CID 10997 |
| Source license terms | NCBI Policies and Disclaimers |
| Source licensing guidance | PubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data. |
| Attribution URL | https://molgod.org/molecule/544-17-2/ |
| License & provenance URL | https://molgod.org/licenses/stl/544-17-2/ |
| Scope | This license applies to the MolGod-created STL mesh, not automatically to third-party source material. |
| Licence terms & attribution | MolGod licence and attribution rules → |
The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.