≥96% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763785 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763785 |
| Canonical Smiles | CC(=O)OC1=CC=C(C=C1)C=CC(=O)O |
| IUPAC Name | (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid |
| InChIKey | BYHBHNKBISXCEP-QPJJXVBHSA-N |
| INCHI | 1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+ |
| Isomeric SMILES | CC(=O)OC1=CC=C(C=C1)/C=C/C(=O)O |
| Molecular Weight | 206.2 |
| Reaxy-Rn | 2645987 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2645987&ln= |
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 | Cinnamic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acids |
| Alternative Parents | Phenol esters Styrenes Phenoxy compounds Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid - Phenol ester - Phenoxy compound - Styrene - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. |
| External Descriptors | acetate ester - cinnamic acids |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2130093 | Certificate of Analysis | May 14, 2024 | A181741 |
| G2130094 | Certificate of Analysis | May 14, 2024 | A181741 |
| G2130095 | Certificate of Analysis | May 14, 2024 | A181741 |
| L2418240 | Certificate of Analysis | May 14, 2024 | A181741 |
| Melt Point(°C) | 198-210°C |
|---|---|
| Molecular Weight | 206.190 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 206.058 Da |
| Monoisotopic Mass | 206.058 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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. Xiaoni Zhu, Yanbin Feng, Mingdong Wang, Shang Li, Hongfei Li, Lin Liu, Song Xue. (2024) Integrated strategies for engineering ferulic acid decarboxylase with tunnel conformation and substrate pocket for adapting non-natural substrates. BIOCHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.bej.2024.109566] |
