Acrolein dimer

CAS 100-73-2  ·  C6H8O2  ·  MW 112.13 g/mol

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3D model Acrolein dimer, CAS 100-73-2, molecular formula C6H8O2, molar mass 112.13 g/mol

Model views

  • Acrolein dimer (CAS 100-73-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Acrolein dimer (CAS 100-73-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Acrolein dimer (CAS 100-73-2) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Acrolein dimer (CAS 100-73-2) – 2D structure, MolGod Viewer
    2D structure

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About Acrolein dimer

Acrolein dimer is a chemical compound registered under number CAS 100-73-2, with the molecular formula C6H8O2, and a molar mass of 112.13 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 3,4-dihydro-2H-pyran-2-carbaldehyde. 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 = 0.7 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 2 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 formulaC6H8O2
Molar mass112.13 g/mol
IUPAC3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESC1CC(OC=C1)C=O
InChIKeyNPWYTMFWRRIFLK-UHFFFAOYSA-N
logP (XLogP3)0.7
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 60994 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07

H226 — Flammable liquid and vapour

H332 — Harmful if inhaled

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 8)

1951: number of articles 119511970: number of articles 11988: number of articles 11994: number of articles 11997: number of articles 119972001: number of articles 12016: number of articles 12019: number of articles 12019

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
3,4-Dihydro-2H-pyran-2-carbaldehyde · Acrolein dimer · 2-Propenal dimer · 3,4-Dihydro-2H-pyran-2-carboxaldehyde · 2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO- · NSC 95413 · 2,3-Dihydro-1,4-pyran-2-karboxaldehyd · EINECS 202-884-5 · 49SA3RBS5H · UN2607 · BRN 0107244 · NSC-95413 · Acrolein dimer, stabilized · 2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech] · UNII-49SA3RBS5H
Data sources
Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23476676) · Wikimedia Commons
Source structure: PubChem (CID 60994)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Acrolein dimer (CAS 100-73-2), C6H8O2 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG_334-441-268-62 · engraved · 197,044 △ · 9 MB · SHA-256 2b3e38103e691001

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Acrolein dimer (CAS 100-73-2), C6H8O2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_334-441-268-62 · normal · 6,848 △ · 334 KB · SHA-256 180fb38013c3b3c9

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Model
Acrolein dimer · 100-73-2
InChIKey
NPWYTMFWRRIFLK-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Acrolein dimer (CAS 100-73-2)
License & provenance record
Acrolein dimer (CAS 100-73-2) →
MolGod molecule record
Acrolein dimer →
Source data
PubChem CID 60994 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
180fb38013c3b3c9ade76927a3738f97807b8a9175428e289846f8a4996142c9
MD5 (STL)
ce64a27fe1768bff524cd5ec60ffa5cd
MolGod Identification Number
MG_334-441-268-62
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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