≥98% 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 | CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
|---|---|
| IUPAC Name | 4-hydroxy-3-methylnaphthalene-1,2-dione |
| InChIKey | BGVCGTNXEKDVCB-UHFFFAOYSA-N |
| INCHI | 1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,12H,1H3 |
| Isomeric SMILES | CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| Alternate CAS | 483-55-6 |
| NSC Number | 11897 |
| MeSH Entry Terms | 2-hydroxy-3-methyl-1,4-naphthoquinone;phthiocol |
| Molecular Weight | 188.18 |
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 | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthoquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthoquinones |
| Alternative Parents | Naphthols and derivatives Quinones Aryl ketones Vinylogous acids Enols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthoquinone - 1-naphthol - Aryl ketone - Quinone - Vinylogous acid - Cyclic ketone - Ketone - Enol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). |
| External Descriptors | Not available |
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| Molecular Weight | 188.180 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 188.047 Da |
| Monoisotopic Mass | 188.047 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 327.000 |
| 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 |
C2603236