≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O |
|---|---|
| IUPAC Name | 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one |
| InChIKey | BOTXZPXSICDQHE-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N2O4/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3 |
| Isomeric SMILES | CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O |
| PubChem CID | 337396 |
| Molecular Weight | 328.4 |
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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans - Xanthenes |
| Direct Parent | Xanthones |
| Alternative Parents | Chromones Secondary alkylarylamines Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthone - Chromone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. |
| External Descriptors | Not available |
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| Molecular Weight | 328.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 328.142 Da |
| Monoisotopic Mass | 328.142 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 445.000 |
| 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 |
