4-Acetoxyindole

CAS 5585-96-6  ·  C10H9NO2  ·  MW 175.18 g/mol

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3D model 4-Acetoxyindole, CAS 5585-96-6, molecular formula C10H9NO2, molar mass 175.18 g/mol
About 4-Acetoxyindole

4-Acetoxyindole is a chemical compound registered under number CAS 5585-96-6, with the molecular formula C10H9NO2, and a molar mass of 175.18 g/mol.

The molecule contains 22 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is 1H-indol-4-yl acetate. 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 = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 42.1 Ų, 1 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.

Physicochemical properties
Molecular formulaC10H9NO2
Masa molowa175.18 g/mol
IUPAC1H-indol-4-yl acetate
SMILESCC(=O)OC1=CC=CC2=C1C=CN2
InChIKeyZXDMUHFTJWEDEF-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA42.1 Ų
HBD / HBA1 / 2
PubChem CIDCID 583934 ↗
Scientific literature

Related literature

15 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1957: 2 articles19571958: 1 articles1976: 2 articles1979: 1 articles1982: 2 articles1983: 1 articles19831986: 1 articles1987: 1 articles1988: 2 articles1991: 1 articles2021: 1 articles2021

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(1979) · Biomedizinische Technik/Biomedical Engineering
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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
4-Acetoxyindole · 5585-96-6 · RefChem:1070205 · DTXCID90293787 · 881-373-4 · 1H-Indol-4-yl acetate · 4-Indolyl acetate · MFCD00010678 · acetic acid 1H-indol-4-yl ester · 4-Acetoxy indole · 4-Indolyl acetate, 99% · 1H-Indol-4-yl acetate # · SCHEMBL594038 · AKOS015837973 · AB01042
Data sources
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License & Provenance

MolGod 3D molecular model
4-Acetoxyindole — CAS 5585-96-6

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

MolGod License & Provenance Record:
4-Acetoxyindole (CAS 5585-96-6) — License & Provenance

Source:
4-Acetoxyindole (CAS 5585-96-6) — MolGod molecule record

Source data: PubChem CID 583934

STL: Download 3D model (452 KB)

SHA-256: 2bb5ecd204cb9575dd683fd09b76d12aec52218fd49b0f99d978f550e5abff03

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Source data: PubChem CID 583934

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