10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528775109 |
|---|---|
| 정식 스마일 | C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC |
| IUPAC Name | 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium |
| InChIKey | HUJXHFRXWWGYQH-UHFFFAOYSA-O |
| INCHI | 1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1 |
| 이성체 SMILES | C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC |
| PubChem CID | 5280385 |
| 분자량 | 310.37 |
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 |
| 분류 | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumaric acids and derivatives |
| Alternative Parents | Cinnamic acid esters Methoxyphenols Dimethoxybenzenes Acyl cholines Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Fatty acid esters Tetraalkylammonium salts Enoate esters Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines Organic salts Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Coumaric acid or derivatives - Cinnamic acid ester - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Acyl choline - Anisole - Methoxybenzene - Phenol ether - Styrene - Phenoxy compound - Fatty acid ester - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Quaternary ammonium salt - Alpha,beta-unsaturated carboxylic ester - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxide - Organic salt - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic cation - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. |
| External Descriptors | a small molecule |
| 감도 | light sensitive；Moisture sensitive |
|---|---|
| 분자량 | 310.360 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 310.165 Da |
| Monoisotopic Mass | 310.165 Da |
| Topological Polar Surface Area | 65.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 1 |
| Complexity | 363.000 |
| 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 |
| 1. Lili Cao, Pengpeng Jia, Haotian Liu, Shengmei Kang, Shaotong Jiang, Min Pang. (2023) Effects of High-Canolol Phenolic Extracts on Fragrant Rapeseed Oil Quality and Flavor Compounds during Frying. Foods, 12 (4): (827). [PMID:36832902] [10.3390/foods12040827] |
