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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(=O)C=CC1=NC2=CC=C(C=C2)O |
|---|---|
| IUPAC Name | 4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one |
| InChIKey | RSAZYXZUJROYKR-UHFFFAOYSA-N |
| INCHI | 1S/C12H9NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14H |
| Isomeric SMILES | C1=CC(=O)C=CC1=NC2=CC=C(C=C2)O |
| Molecular Weight | 199.205 |
| Reaxy-Rn | 2095656 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2095656&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quinonimines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | P-quinonimines |
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary ketimines Azomethines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-quinonimine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Azomethine - Secondary ketimine - Ketimine - Ketone - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Imine - Carbonyl group - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-quinonimines. These are quinonimines in which the imine groups are in a para-relationship. |
| External Descriptors | quinone imine |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 04, 2026 | I133727 | |
| Certificate of Analysis | Aug 11, 2025 | I133727 | |
| Certificate of Analysis | May 12, 2025 | I133727 | |
| Certificate of Analysis | Jan 09, 2025 | I133727 | |
| Certificate of Analysis | Mar 09, 2023 | I133727 | |
| Certificate of Analysis | Feb 22, 2023 | I133727 | |
| Certificate of Analysis | Feb 03, 2023 | I133727 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 199.200 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.063 Da |
| Monoisotopic Mass | 199.063 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 |