Dimethyl acetylenedicarboxylate (CAS 762-42-5)

Dimethyl acetylenedicarboxylate

CAS 762-42-5  ·  C6H6O4  ·  MW 142.11 g/mol

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3D model Dimethyl acetylenedicarboxylate, CAS 762-42-5, molecular formula C6H6O4, molar mass 142.11 g/mol
About Dimethyl acetylenedicarboxylate (CAS 762-42-5)

Dimethyl acetylenedicarboxylate (CAS 762-42-5) is a chemical compound registered under number CAS 762-42-5, with the molecular formula C6H6O4, and a molar mass of 142.11 g/mol.

The molecule contains 16 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is dimethyl but-2-ynedioate. 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 = 0.8 (positive value, a lipophilic compound), polar surface area PSA = 52.6 Ų, 0 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC6H6O4
Masa molowa142.11 g/mol
IUPACdimethyl but-2-ynedioate
SMILESCOC(=O)C#CC(=O)OC
InChIKeyVHILMKFSCRWWIJ-UHFFFAOYSA-N
logP (XLogP3)0.8
PSA52.6 Ų
HBD / HBA0 / 4
PubChem CIDCID 12980 ↗
GHS safety

Sygnał: Niebezpieczeństwo

GHS05
GHS05
GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Scientific literature

Related literature

20 artykułów · 6 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Timeline publikacji (20 artykułów)

1954: 1 artykułów19541979: 1 artykułów1997: 1 artykułów2000: 1 artykułów2007: 1 artykułów2008: 1 artykułów2010: 1 artykułów2011: 1 artykułów2014: 1 artykułów20142015: 1 artykułów2018: 1 artykułów2019: 4 artykułów2021: 2 artykułów2022: 1 artykułów2023: 1 artykułów2025: 1 artykułów2025

Wysokość słupka = liczba artykułów w roku. Hover dla szczegółów.

R. Qiu (2019) · Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
AI Summary
The Crystal Growth for Beginners (3rd edition) by Ivan Markov is an excellent one that can serve the purpose and is worth reading, well organized and is pedagogical.
Cytowania: 50Influential: 1Open AccessDOI ↗PubMed ↗PDF ↗
Y. Piao, H. Peltoketo, Annukka Jouppila et al. (1997)
AI Summary
The present data indicate that RAs may stimulate estradiol biosynthesis by regulating 17HSD type 1 expression in certain breast cancer and choriocarcinoma cells and the results suggest that interaction of multiple regulatory pathways is involved in maintaining high 17 HSD type 2 expression in the placenta.
Cytowania: 32Influential: 3$ Paywall
(1979) · National Toxicology Program technical report series
AI Summary
The findings of an increased incidence of a combination of adenomas and carcinomas of the lung provided suggestive evidence for the carcinogenicity of styrene in male B6C3F1 mice, but it is concluded that, under the conditions of this bioassay, no convincing evidence for this compound was obtained.
Cytowania: 22Influential: 2$ PaywallPubMed ↗
Patricia L. Vesely (2018) · Interpretation: A Journal of Bible and Theology
Cytowania: 1$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
Dimethyl acetylenedicarboxylate · 762-42-5 · 2-Butynedioic acid, dimethyl ester · Dimethyl 2-butynedioate · Bis(methoxycarbonyl)acetylene · Di(carbomethoxy)acetylene · 1,2-Bis(methoxycarbonyl)acetylene · Acetylenedicarboxylic acid dimethyl ester · Dimethyl ethynedicarboxylate · Acetylenedicarboxylic acid, dimethyl ester · 1,2-Bis(methoxycarbonyl)ethyne · 7HZA2PL15F · 2-Butynedioic acid, 1,4-dimethyl ester · NSC-14912 · NSC-101119
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