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NIH3D

Benzyl alcohol - engraved ball-and-stick model (CAS 100-51-6)

Created by
MolGod
Created:
10/20/26
Submitted:
10/19/26
Published:
10/20/26

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Learn more about NIH 3D workflow outputs

3DPX-023770

Licensing:

CC-BY-SA
46
5
Version 1

Category

Small Molecules
Small Molecules
Description

This entry presents Benzyl alcohol (C7H8O; CAS 100-51-6; PubChem CID 244) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Structure at a glance

  • 16 atoms: 7 C, 8 H, 1 O

  • 16 bonds: 10 single, 6 aromatic

  • One aromatic 6-membered ring

  • Functional group: one hydroxyl group (-OH)

  • One hydrogen-bond donor and one acceptor (computed)

  • Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.14 (computed)

Use in teaching

  • Counting task: students tally the engraved symbols (7 C, 8 H, 1 O; 16 atoms) and rebuild the formula C7H8O from the model alone.

  • Aromaticity: identify the aromatic ring and the 6 bonds recorded as aromatic; the model draws them as one Kekulé structure (alternating single and double bonds), while in the real molecule they are delocalised, intermediate between single and double.

  • Functional groups: find the hydroxyl group (-OH) on the model and name it.

File and printing

STL mesh of 203,912 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 5.509 × 5.58 × 4.603 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 55.1 × 55.8 × 46.0 mm. SHA-256: 10381719ea1acdac06a799aa1db16f4ff0882614dbb9f29e09ecc51a021e46cc.

Validation

  • InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): WVDDGKGOMKODPV-UHFFFAOYSA-N

  • Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

  • Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/100-51-6 · Licence and provenance record: molgod.org/licenses/stl/100-51-6 · Same file on Wikimedia Commons: File:Benzyl alcohol-3D-molecular-model-engraved-CAS-100-51-6.stl

  • MolGod ID: MG_677-900-867-79

  • Wikidata: Q52353

  • EC number: 202-859-9

  • ChemSpider ID: 13860335

  • IUPAC name: phenylmethanol

  • InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N

  • SMILES: C1=CC=C(C=C1)CO

  • Molar mass 108.14 g/mol (exact mass 108.057514874)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "Benzyl alcohol 3D model by MolGod.org — https://molgod.org/molecule/100-51-6/ — CC BY-SA 4.0".