Trans-2,3-Dimethoxycinnamic acid (CAS 7345-82-6)

Trans-2,3-Dimethoxycinnamic acid (CAS 7345-82-6) is a chemical compound registered under number CAS 7345-82-6, with the molecular formula C₁₁H₁₂O₄, and a molar mass of 208.21 g/mol.

The molecule contains 27 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic 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 = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 55.8 Ų, 1 donors and 4 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	C11H12O4
Masa molowa	208.21 g/mol
IUPAC	(E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
SMILES	COC1=CC=CC(=C1OC)/C=C/C(=O)O
InChIKey	QAXPUWGAGVERSJ-VOTSOKGWSA-N
logP (XLogP3)	1.8
PSA	55.8 Ų
HBD / HBA	1 / 4
PubChem CID	CID 735842 ↗

Sygnał: Uwaga

H302 — Działa szkodliwie po połknięciu

H317 — Może powodować reakcję alergiczną skóry

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

trans-2,3-Dimethoxycinnamic acid · 2',3'-Dimethoxycinnamic acid · EINECS 231-249-5 · NSC 235795 · NSC 403612 · RefChem:439377 · 231-249-5 · 679-802-3 · 7345-82-6 · 7461-60-1 · 2,3-Dimethoxycinnamic acid · (E)-3-(2,3-Dimethoxyphenyl)acrylic acid · (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid · 3-(2,3-dimethoxyphenyl)acrylic acid · (2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid

• 📊 PubChem CID 735842 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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