Extended compounds of phenylacetonitrile and phenylacetic acid (CAS 93-25-4)

Extended compounds of phenylacetonitrile and phenylacetic acid (CAS 93-25-4) is a chemical compound registered under number CAS 93-25-4, with the molecular formula C₉H₁₀O₃, and a molar mass of 166.17 g/mol.

The molecule contains 22 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is 2-(2-methoxyphenyl)acetic acid. 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 = 1.5 (positive value, a lipophilic compound), polar surface area PSA = 46.5 Ų, 1 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.

Wzór sumaryczny	C9H10O3
Masa molowa	166.17 g/mol
IUPAC	2-(2-methoxyphenyl)acetic acid
SMILES	COC1=CC=CC=C1CC(=O)O
InChIKey	IVEWTCACRDEAOB-UHFFFAOYSA-N
logP (XLogP3)	1.5
PSA	46.5 Ų
HBD / HBA	1 / 3
PubChem CID	CID 7134 ↗

Sygnał: Uwaga

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

2-Methoxyphenylacetic acid · 93-25-4 · Benzeneacetic acid, 2-methoxy- · (2-Methoxyphenyl)acetic acid · EINECS 202-231-4 · NSC 110708 · RefChem:87940 · (oMethoxyphenyl)acetic acid · Benzeneacetic acid, 2methoxy · Acetic acid, (omethoxyphenyl) · DTXCID1048833 · Acetic acid, (omethoxyphenyl) (8CI) · 202-231-4 · IVEWTCACRDEAOB-UHFFFAOYSA-N · 2-(2-methoxyphenyl)acetic acid

• 📊 PubChem CID 7134 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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