for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Sonrisas canónicas | CC1=CC(=O)C=CC1=C(C2=C(C=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)O |
|---|---|
| IUPAC Name | 2-[(4-hydroxy-2-methylphenyl)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid |
| InChIKey | APQRURLENAYZRH-UHFFFAOYSA-N |
| INCHI | 1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26/h3-12,22H,1-2H3,(H,24,25,26) |
| Peso molecular | 382.4 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Monocyclic monoterpenoids Benzenesulfonic acids and derivatives Aromatic monoterpenoids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds P-quinomethanes Meta cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - M-cresol - P-quinomethane - Quinomethane - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Cyclic ketone - Ketone - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Peso molecular | 382.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 382.087 Da |
| Monoisotopic Mass | 382.087 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 784.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![2-[(4-Hydroxy-2-methylphenyl)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid , CAS No.412958-99-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)