3,4-Dihydroxybenzaldehyde

CAS 139-85-5  ·  C7H6O3  ·  MW 138.12 g/mol

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3D model 3,4-Dihydroxybenzaldehyde, CAS 139-85-5, molecular formula C7H6O3, molar mass 138.12 g/mol
About 3,4-Dihydroxybenzaldehyde

3,4-Dihydroxybenzaldehyde is a chemical compound registered under number CAS 139-85-5, with the molecular formula C7H6O3, and a molar mass of 138.12 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 3,4-dihydroxybenzaldehyde. 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 = 1.3 (positive value, a lipophilic compound), polar surface area PSA = 57.5 Ų, 2 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.

Physicochemical properties
Molecular formulaC7H6O3
Masa molowa138.12 g/mol
IUPAC3,4-dihydroxybenzaldehyde
SMILESC1=CC(=C(C=C1C=O)O)O
InChIKeyIBGBGRVKPALMCQ-UHFFFAOYSA-N
logP (XLogP3)1.3
PSA57.5 Ų
HBD / HBA2 / 3
PubChem CIDCID 8768 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

11 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (11 articles)

2004: 1 articles20042022: 1 articles2023: 2 articles2024: 2 articles20242025: 4 articles2026: 1 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
3,4-Dihydroxybenzaldehyde · Protocatechualdehyde · 139-85-5 · PROTOCATECHUIC ALDEHYDE · Rancinamycin IV · 4-Formyl-1,2-dihydroxybenzene · 3,4-Dihydroxybenzenecarbonal · 4PVP2HCH4T · CHEBI:50205 · NSC-22961 · GM-W03 · RefChem:45419 · DTXCID1034507 · O HUI WHITE EXTREME CELLIGHT · 205-377-7
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
3,4-Dihydroxybenzaldehyde — CAS 139-85-5

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

MolGod License & Provenance Record:
3,4-Dihydroxybenzaldehyde (CAS 139-85-5) — License & Provenance

Source:
3,4-Dihydroxybenzaldehyde (CAS 139-85-5) — MolGod molecule record

Source data: PubChem CID 8768

STL: Download 3D model (325 KB)

SHA-256: f22a091941645013ceeb578abba7d813632e6dd3f80994abfba08dc1a0eb4716

Wikimedia Commons: not published yet

Source data: PubChem CID 8768

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