Tropolone

Tropolone is a chemical compound registered under number CAS 533-75-5, with the molecular formula C₇H₆O₂, and a molar mass of 122.12 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 2-hydroxycyclohepta-2,4,6-trien-1-one. 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 = 0.5 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 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.

Molecular formula	C7H6O2
Masa molowa	122.12 g/mol
IUPAC	2-hydroxycyclohepta-2,4,6-trien-1-one
SMILES	C1=CC=C(C(=O)C=C1)O
InChIKey	MDYOLVRUBBJPFM-UHFFFAOYSA-N
logP (XLogP3)	0.5
PSA	37.3 Ų
HBD / HBA	1 / 2
PubChem CID	CID 10789 ↗

Signal word: Danger

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H317 — Może powodować reakcję alergiczną skóry

H318 — Powoduje poważne uszkodzenie oczu

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

Tropolone · 533-75-5 · 2-Hydroxycyclohepta-2,4,6-trienone · Purpurocatechol · 2-Hydroxytropone · 2,4,6-Cycloheptatrien-1-one, 2-hydroxy- · 7L6DL16P1T · NSC-89303 · DTXCID7029376 · CHEBI:79966 · RefChem:389350 · 208-577-2 · 2-hydroxycyclohepta-2,4,6-trien-1-one · 2-Hydroxy-2,4,6-cycloheptatrien-1-one · 2-Hydroxy-2,4,6-cycloheptatrienone

• 📊 PubChem CID 10789 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność