≥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 | CC1=CC(=C(C(=O)O1)C(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|---|---|
| IUPAC Name | 4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methylpyran-2-one |
| InChIKey | LRCLIDIMQAJTGZ-GQCTYLIASA-N |
| INCHI | 1S/C16H14O6/c1-9-7-13(19)15(16(20)22-9)12(18)6-4-10-3-5-11(17)14(8-10)21-2/h3-8,17,19H,1-2H3/b6-4+ |
| Isomeric SMILES | CC1=CC(=C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC)O |
| PubChem CID | 135400377 |
| Molecular Weight | 302.28 |
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 | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxycinnamic acids and derivatives |
| Alternative Parents | Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Acryloyl compounds Heteroaromatic compounds Enones Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydroxycinnamic acid or derivatives - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Vinylogous acid - Heteroaromatic compound - Lactone - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. |
| External Descriptors | Not available |
| Molecular Weight | 302.280 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 302.079 Da |
| Monoisotopic Mass | 302.079 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 557.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methyl-2H-pyran-2-one - ≥95% , CAS No.851517-09-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)