PharmPure™, ≥98% PharmPure™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C(=O)C=C1)O |
|---|---|
| IUPAC Name | 2-hydroxycyclohepta-2,4,6-trien-1-one |
| InChIKey | MDYOLVRUBBJPFM-UHFFFAOYSA-N |
| INCHI | 1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) |
| Isomeric SMILES | C1=CC=C(C(=O)C=C1)O |
| WGK Germany | 3 |
| RTECS | GU4075000 |
| PubChem CID | 10789 |
| Molecular Weight | 122.12 |
| Beilstein | 1904978 |
| Reaxy-Rn | 1904978 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbon derivatives |
| Class | Tropones |
| Subclass | Tropolones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropolones |
| Alternative Parents | Cyclic ketones Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tropolone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2. |
| External Descriptors | cyclic ketone |
| Solubility | Soluble in water. |
|---|---|
| Sensitivity | heat sensitive&Moisture sensitive. |
| Flash Point(°F) | 233.6 °F |
| Flash Point(°C) | 112 °C |
| Boil Point(°C) | 80-84°C |
| Melt Point(°C) | 50-52°C |
| Molecular Weight | 122.120 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.037 Da |
| Monoisotopic Mass | 122.037 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View PharmPure™ grade guide →
