Methyl acetoacetate — License & Provenance

CAS 105-45-3 · C5H8O3 · MolGod 3D molecular model

Identity

Model identifierMG-STL-105-45-3
CAS Registry Number105-45-3
Name sourcecache cas-*.json field "title" (angielski)
Molecular formulaC5H8O3
PubChem CID7757
InChIKeyWRQNANDWMGAFTP-UHFFFAOYSA-N
WikidataQ424860
MolGod molecule recordMethyl acetoacetate (CAS 105-45-3) — molecule record
MolGod product pageMethyl acetoacetate — safety data sheet

Geometry provenance

SourcePubChem, record_type=3d (computed conformer)
Endpointpug/compound/cid/{cid}/record/SDF?record_type=3d
Retrieved2026-09-25 10:23:00
Atoms / bonds16 / 15
ModificationNone. Atomic coordinates and connectivity are used unchanged; no geometry was modelled, adjusted or inferred.

Preview

3D molecular model of Methyl acetoacetate (CAS 105-45-3), ball-and-stick representation, rendered from the MolGod STL filePobierz obraz


Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Engraved variant

3D molecular model of Methyl acetoacetate (CAS 105-45-3), engraved variant: element symbols recessed into each atom sphere, rendered from the MolGod STL filePobierz obraz

The element symbol is cut into the sphere, not printed on it. That single difference is what this variant is for.

Why the preview looks the way it does. A carved letter has no colour of its own — on a pale atom it would disappear into the highlight. The preview is rendered from the mesh itself with ray-traced cavity shading, so recesses darken because they are recessed, not because we painted them. What you see is the geometry you will receive. The element colours follow the same palette as the interactive viewer on this site, so the model and the viewer never disagree about what an atom is.

Element symbols are recessed into the atom spheres. Mesh: 201,762 triangles versus 6,560.

Download engraved variant: molgod-105-45-3-engraved.stl (10 MB)
SHA-256 31c57d5e8a1f9b2605584255a5ac93332b35a7f16389ef57808f25cd70a95fb3

Artefact

FormatSTL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Downloadmolgod-105-45-3.stl (320 KB)
SHA-256a94a331d088702101470dfedd83f947647a9728e55eb4ce60e7637eb5ac5a244
MD548950a9530b8108860773c48c814a9bb
Size328,084 bytes
Triangles6,560
Mesh16 atom spheres + 15 bond cylinders, each a closed outward-oriented solid; the solids intersect by design.
Atomic radiivan der Waals radii, Bondi 1964 (doi:10.1021/j100785a001). Sphere scale and bond radius are presentation parameters, not chemical quantities.
ExporterMolGod STL Exporter @ 8b6dfdd
Validatorwaliduj_stl.py PASS at export; independently confirmed by trimesh 5.1.0 and numpy-stl (6560 triangles, watertight, consistent winding, positive volume), checked 2026-09-26T00:14:31Z
Generated2026-09-25T06:02:39Z
The STL format stores no bond-order or colour metadata. Aromatic and single bonds are rendered as identical cylinders; bond orders are preserved in this record and in the accompanying metadata, not in the mesh. In the engraved variant bond order is additionally represented geometrically, by distinct bond-cylinder arrangements — that is geometry, not file metadata.

License

LicenseCC BY-SA 4.0 International
CreatorMolGod Scientific
Required attribution"Methyl acetoacetate (CAS 105-45-3) — 3D molecular model" by MolGod Scientific, licensed under CC BY-SA 4.0 International. Rendered as a triangulated mesh (van der Waals spheres and bond cylinders) from the PubChem-computed 3D conformer; atomic coordinates and connectivity unchanged. Source: https://molgod.org/licenses/stl/105-45-3/
Wikimedia Commons tag{{Cc-by-sa-4.0}}
Source representationPubChem computed 3D conformer (record_type=3d) — generated by PubChem itself, not supplied by a depositor.
Source rights basisNCBI 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 assessmentcompatible — 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 scopeThis 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 URLPubChem CID 7757
Source license termsNCBI Policies and Disclaimers
Source licensing guidancePubChem 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 URLhttps://molgod.org/molecule/105-45-3/
License & provenance URLhttps://molgod.org/licenses/stl/105-45-3/
ScopeThis license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attributionMolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh MG-STL-105-45-3 (SHA-256 a94a331d088702101470dfedd83f947647a9728e55eb4ce60e7637eb5ac5a244), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

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.