Aspirin (acetylsalicylic acid) (CAS 50-78-2)

Aspirin

CAS 50-78-2  ·  C9H8O4  ·  MW 180.16 g/mol

Aspirin (acetylsalicylic acid) (CAS 50-78-2) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Aspirin, CAS 50-78-2, molecular formula C9H8O4, molar mass 180.16 g/mol

Model views

  • Aspirin (CAS 50-78-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Aspirin (CAS 50-78-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Aspirin (CAS 50-78-2) – 2D structure, MolGod Viewer
    2D structure

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About Aspirin (acetylsalicylic acid) (CAS 50-78-2)

Aspirin (acetylsalicylic acid) (CAS 50-78-2) is a chemical compound registered under number CAS 50-78-2, with the molecular formula C9H8O4, and a molar mass of 180.16 g/mol.

The molecule contains 21 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is 2-acetyloxybenzoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.2 (positive value, a lipophilic compound), polar surface area PSA = 63.6 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC9H8O4
Molar mass180.16 g/mol
IUPAC2-acetyloxybenzoic acid
SMILESCC(=O)Oc1ccccc1C(=O)O
InChIKeyBSYNRYMUTXBXSQ-UHFFFAOYSA-N
logP (XLogP3)1.2
PSA63.6 Ų
HBD / HBA1 / 4
PubChem CIDCID 2244 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H315 — Causes skin irritation

Scientific literature

Related literature

2 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 2)

2010: number of articles 120102026: number of articles 12026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Aspiryna · Aspirin · Acetylsalicylic acid · Acenter
Data sources
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Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Aspirin (CAS 50-78-2), C9H8O4 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

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Aspirin (CAS 50-78-2) - 3D model ready to print on a display base, MolGod STL previewDownload image

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Model
Aspirin · 50-78-2
InChIKey
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Aspirin (CAS 50-78-2)
License & provenance record
Aspirin (CAS 50-78-2) →
MolGod molecule record
Aspirin →
Source data
PubChem CID 2244 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b09c3ecb8fee52bf81dcde65200f144fbadb607d002ed5b8fdff329fe0664a3a
MD5 (STL)
cfd0232a1ae9301b2faa895ea3c791cb
MolGod Identification Number
MG_161-948-169-73
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23718703) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 2244)
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