Warfarin 3D Molecular Model — CAS 81-81-2
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Free educational Warfarin model (C19H16O4, CAS 81-81-2) with an engraved element symbol on every atom.
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Model information
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- Printables
- Category
- Chemistry & Biology
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- Creative Commons — Attribution — Share Alike
Warfarin (C19H16O4, CAS 81-81-2) — a free educational 3D molecular model for teachers and students, by MolGod.org. Element symbols are cut into each atom sphere: a self-labelled teaching aid.
Turn the model in your hand to see the shape of Warfarin: three 6-membered rings, with one pair of rings fused along a shared edge, two of them aromatic, and 41 bonds in total (27 single, 3 double and 11 aromatic, drawn in Kekulé form). Hand the model round and let students tally the engraved atoms: 19 C + 16 H + 4 O, 39 in total. No R/S label is assigned here, although Warfarin contains one stereocentre: ask the class which arrangements are possible. Students meeting aromaticity and delocalised electrons, chirality, enantiomers and CIP (R/S) rules, fused ring systems, the carbonyl group (C=O), as well as phenols and hydrogen bonding for the first time can hold an example in their hands. Spot-the-group challenge: can students find the ketone group (C=O) and the phenolic hydroxyl group (Ar-OH)?
MolGod.org offers this engraved model free to anyone teaching or learning chemistry. Teachers: use it as a hands-on starter before drawing the structural formula on the board.
Full record and more free models: https://molgod.org/molecule/81-81-2/?utm_source=printables&utm_medium=referral&utm_campaign=edu-3d-models
Licence & provenance: https://molgod.org/licenses/stl/81-81-2/
Same file on Wikimedia Commons: https://commons.wikimedia.org/wiki/File:Warfarin-3D-molecular-model-engraved-CAS-81-81-2.stl
A ball-and-stick model of Warfarin with each element symbol recessed into its atom sphere, generated by MolGod.org from a PubChem-computed 3D conformer (not an experimental crystal structure); atomic coordinates and connectivity are unchanged. STL mesh: 507,486 triangles, closed (watertight) single solid. Coordinates in ångström (STL stores no unit) — scale the model deliberately in your slicer.
Names in other languages: (RS)-Warfarin (de); (RS)-warfarine (fr); Warfarine (nl); (RS)-warfaryna (pl); 华法林 (zh).
Chemical identity
CAS Registry Number: 81-81-2
Molecular formula: C19H16O4
Molar mass: 308.3 g/mol (exact mass 308.10485899)
IUPAC name: 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
MolGod ID: MG_834-796-691-63 (https://molgod.org/id/MG_834-796-691-63)
PubChem CID: 54678486 (https://pubchem.ncbi.nlm.nih.gov/compound/54678486)
Wikidata: Q407431 (https://www.wikidata.org/wiki/Q407431)
ChemSpider ID: 10442445
InChIKey: PJVWKTKQMONHTI-UHFFFAOYSA-N
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Required attribution (CC BY-SA 4.0): "Warfarin 3D model by MolGod.org — https://molgod.org/molecule/81-81-2/ — CC BY-SA 4.0"
Licence text: https://creativecommons.org/licenses/by-sa/4.0/