Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester

CAS 1099-45-2  ·  C22H21O2P  ·  MW 348.4 g/mol

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3D model Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester, CAS 1099-45-2, molecular formula C22H21O2P, molar mass 348.4 g/mol
About Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester

Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester is a chemical compound registered under number CAS 1099-45-2, with the molecular formula C22H21O2P, and a molar mass of 348.4 g/mol.

The molecule contains 46 atoms connected by 48 chemical bonds. The full systematic IUPAC name of this compound is ethyl 2-(triphenyl-lambda5-phosphanylidene)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 = 4.3 (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.

Physicochemical properties
Molecular formulaC22H21O2P
Masa molowa348.4 g/mol
IUPACethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILESCCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChIKeyIIHPVYJPDKJYOU-UHFFFAOYSA-N
logP (XLogP3)4.3
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 70670 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09
Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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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
Ethyl (triphenylphosphoranylidene)acetate · (Carbethoxymethylene)triphenylphosphorane · (Ethoxycarbonylmethylene)triphenylphosphorane · NSC 72406 · Phosphorane, (carboxymethylene)triphenyl-, ethyl ester · EINECS 214-151-7 · Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester · ((Ethoxycarbonyl)ethylidene)triphenylphosphorane · [(Ethoxycarbonyl)ethylidene]triphenylphosphorane · RefChem:552121 · Acetic acid, (triphenylphosphoranylidene), ethyl ester · Phosphorane, (carboxymethylene)triphenyl, ethyl ester · Acetic acid, 2(triphenylphosphoranylidene), ethyl ester · 214-151-7 · 1099-45-2
Data sources
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Model
Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester · 1099-45-2
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CC BY 4.0 International (source rights undetermined — not yet granted)
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MolGod Scientific
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Source data
PubChem CID 70670 ↗
SHA-256 (STL)
989ea4a767c20e895136d01df6eb59a62460d20b022e1bfc7bc6aeb523b02d9c
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