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-phenylbutanoate

Methyl 3-oxo-4-phenylbutanoate 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
Molecular formulaC11H12O3
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

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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

📈 Publication timeline (9 articles)

1958: 1 articles19581981: 1 articles2010: 1 articles20102026: 6 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

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
Related molecules
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License & Provenance

MolGod 3D molecular model
Methyl 3-oxo-4-phenylbutanoate — CAS 37779-49-0

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Methyl 3-oxo-4-phenylbutanoate (CAS 37779-49-0) — License & Provenance

Source:
Methyl 3-oxo-4-phenylbutanoate (CAS 37779-49-0) — MolGod molecule record

Source data: PubChem CID 2760261

STL: Download 3D model (528 KB)

SHA-256: 7988a6c895bee843ec0839bf26f745b61ccc7a6dac8d7d268a9adb140ad50c29

Wikimedia Commons: not published yet

Source data: PubChem CID 2760261

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