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| Synonyms | 4-PENTENOIC ACID | Pent-4-enoic acid | 591-80-0 | Allylacetic acid | Allyl acetic acid | 3-Vinylpropionic acid | 4 PA | FEMA No. 2843 | MFCD00004408 | .DELTA.4-Pentenoic acid | D4S77Y29FB | DTXSID0044448 | CHEBI:35936 | C5:1n-1 | NSC-9000 | NSC-20944 | WLN: QV3U1 | delta 4-Pentenoic acid | |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
The sulfonation of 4-pentenoic acid (Allylacetic acid) yields the corresponding γ-lactone |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Straight chain fatty acids |
| Alternative Parents | Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. |
| External Descriptors | Unsaturated fatty acids |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| IUPAC Name | pent-4-enoic acid |
|---|---|
| INCHI | InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7) |
| InChIKey | HVAMZGADVCBITI-UHFFFAOYSA-N |
| Smiles | C=CCCC(=O)O |
| Isomeric SMILES | C=CCCC(=O)O |
| WGK Germany | 1 |
| RTECS | SB2800000 |
| PubChem CID | 61138 |
| Molecular Weight | 100.12 |
| Reaxy-Rn | 1633696 |
| Refractive Index | 1.428 |
|---|---|
| Flash Point(°F) | 192°F |
| Flash Point(°C) | 89℃ |
| Boil Point(°C) | 187-189℃ |
| Melt Point(°C) | -22.5°C |
| Molecular Weight | 100.120 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.052 Da |
| Monoisotopic Mass | 100.052 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 76.100 |
| 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 |
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