Methyl 3-Oxo-4-phenylbutyrate (CAS 37779-49-0)

Methyl 3-oxo-4-phenylbutanoate

CAS 37779-49-0  ·  C11H12O3  ·  MW 192.21 g/mol

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3D model Methyl 3-oxo-4-phenylbutanoate, CAS 37779-49-0, molecular formula C11H12O3, molar mass 192.21 g/mol
About Methyl 3-Oxo-4-phenylbutyrate (CAS 37779-49-0)

Methyl 3-Oxo-4-phenylbutyrate (CAS 37779-49-0) is a chemical compound registered under number CAS 37779-49-0, with the molecular formula C11H12O3, and a molar mass of 192.21 g/mol.

The molecule contains 26 atoms connected by 26 chemical bonds. The full systematic IUPAC name of this compound is methyl 3-oxo-4-phenylbutanoate. 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 = 1.6 (positive value, a lipophilic compound), polar surface area PSA = 43.4 Ų, 0 donors and 3 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 sumarycznyC11H12O3
Masa molowa192.21 g/mol
IUPACmethyl 3-oxo-4-phenylbutanoate
SMILESCOC(=O)CC(=O)CC1=CC=CC=C1
InChIKeyDTMSEOVTDVSPDO-UHFFFAOYSA-N
logP (XLogP3)1.6
PSA43.4 Ų
HBD / HBA0 / 3
PubChem CIDCID 2760261 ↗
GHS safety

Sygnał: Uwaga

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

20 artykułów · 17 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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📈 Timeline publikacji (20 artykułów)

1958: 1 artykułów19581981: 1 artykułów1998: 1 artykułów2010: 1 artykułów20102017: 1 artykułów2026: 15 artykułów2026

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

Synonyms
methyl 3-oxo-4-phenylbutanoate · 37779-49-0 · RefChem:355155 · DTXCID00326111 · 3-Oxo-4-phenyl-butyric acid methyl ester · 3-oxo-4-phenylbutyric acid methyl ester · methyl 3-oxo-4-phenylbutyrate · MFCD03424746 · methyl 4-phenyl-3-oxobutyrate · 4-Phenylacetoacetic Acid Methyl Ester · UPCMLD00WJAB48 · Methyl 4-Phenylacetoacetate · methyl gamma-phenylacetoacetate · SCHEMBL2637708 · SCHEMBL10542950
Data sources
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