2',3'-Dimethoxycinnamic acid

CAS 7345-82-6  ·  C11H12O4  ·  MW 208.21 g/mol

Full record: 2',3'-Dimethoxycinnamic acid — Safety Data Sheet →

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3D model 2',3'-Dimethoxycinnamic acid, CAS 7345-82-6, molecular formula C11H12O4, molar mass 208.21 g/mol

Model views

  • 2',3'-Dimethoxycinnamic acid (CAS 7345-82-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2',3'-Dimethoxycinnamic acid (CAS 7345-82-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2',3'-Dimethoxycinnamic acid (CAS 7345-82-6) – 2D structure, MolGod Viewer
    2D structure

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About 2',3'-Dimethoxycinnamic acid

2',3'-Dimethoxycinnamic acid 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC11H12O4
Molar mass208.21 g/mol
IUPAC(E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
SMILESCOC1=CC=CC(=C1OC)/C=C/C(=O)O
InChIKeyQAXPUWGAGVERSJ-VOTSOKGWSA-N
logP (XLogP3)1.8
PSA55.8 Ų
HBD / HBA1 / 4
PubChem CIDCID 735842 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H317 — May cause an allergic skin reaction

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Brak articles naukowych dla CAS 7345-82-6 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
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
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2',3'-Dimethoxycinnamic acid · 7345-82-6
InChIKey
QAXPUWGAGVERSJ-VOTSOKGWSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2',3'-Dimethoxycinnamic acid (CAS 7345-82-6)
License & provenance record
2',3'-Dimethoxycinnamic acid (CAS 7345-82-6) →
MolGod molecule record
2',3'-Dimethoxycinnamic acid →
Source data
PubChem CID 735842 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
d34a1e54fc2d31523bab2c041ff34784a2849f94c94fadcd283dc2ce6e0d333e
MD5 (STL)
9f5794c7a207c50b19f5bcca3ed6d068
MolGod Identification Number
MG_862-928-846-97
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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