Methyl propiolate

Methyl propiolate is a chemical compound registered under number CAS 922-67-8, with the molecular formula C₄H₄O₂, and a molar mass of 84.07 g/mol.

The molecule contains 10 atoms connected by 9 chemical bonds. The full systematic IUPAC name of this compound is methyl prop-2-ynoate. 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 = 0.6 (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 widget above may be used for educational, research and commercial purposes.

Molecular formula	C4H4O2
Masa molowa	84.07 g/mol
IUPAC	methyl prop-2-ynoate
SMILES	COC(=O)C#C
InChIKey	IMAKHNTVDGLIRY-UHFFFAOYSA-N
logP (XLogP3)	0.6
PSA	26.3 Ų
HBD / HBA	0 / 2
PubChem CID	CID 13536 ↗

Signal word: Danger

H225 — Wysoce łatwopalna ciecz i pary

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

METHYL PROPIOLATE · Methyl propynoate · Propiolic acid, methyl ester · methyl propargylate · Propynoic acid methyl ester · methyl 2-propynoate · AI3-37828 · EINECS 213-083-5 · BRN 0605462 · T88NXO102K · NSC-154164 · 4-02-00-01688 (Beilstein Handbook Reference) · UNII-T88NXO102K · methyl acetylenemonocarboxylate · (CARBOMETHOXY)ACETYLENE

• 📊 PubChem CID 13536 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność