≥95% 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.
| Pubchem Sid | 488195413 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195413 |
| Canonical Smiles | C(=CC(=O)O)C(=O)NC(=O)N |
| IUPAC Name | (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid |
| InChIKey | GWGLGTKSTGSWGQ-UPHRSURJSA-N |
| INCHI | 1S/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)/b2-1- |
| Isomeric SMILES | C(=C\C(=O)O)\C(=O)NC(=O)N |
| Molecular Weight | 158.11 |
| Reaxy-Rn | 32898848 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32898848&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 | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Ureas |
| Intermediate Tree Nodes | Ureides |
| Direct Parent | N-acyl ureas |
| Alternative Parents | Unsaturated fatty acids Straight chain fatty acids N-acyl amines Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | N-acyl urea - Fatty acyl - Fatty acid - Unsaturated fatty acid - Straight chain fatty acid - N-acyl-amine - Dicarboximide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in hot acetic acid, ethanol, acetone, benzene, chloroform. Practically insol in cold water, cold acetic acid, acetone, ligroin, chloroform, alc, ether. |
|---|---|
| Melt Point(°C) | 156-159℃ |
| Molecular Weight | 158.110 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 158.033 Da |
| Monoisotopic Mass | 158.033 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| 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 |
L2208138