≥98%(HPLC) 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.
The courmarin-based unnatural amino acid is an effective fluorophore; which has been incoporated into several studies of protein interactions.
| Canonical Smiles | C1=CC2=C(C=C1O)OC(=O)C=C2CCC(C(=O)O)N |
|---|---|
| IUPAC Name | (2S)-2-amino-4-(7-hydroxy-2-oxochromen-4-yl)butanoic acid |
| InChIKey | QEQAKQQRJFWPOR-JTQLQIEISA-N |
| INCHI | 1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1 |
| Isomeric SMILES | C1=CC2=C(C=C1O)OC(=O)C=C2CC[C@@H](C(=O)O)N |
| PubChem CID | 57523941 |
| Molecular Weight | 263.25 |
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 | Coumarins and derivatives |
| Subclass | Hydroxycoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-hydroxycoumarins |
| Alternative Parents | L-alpha-amino acids 1-benzopyrans Pyranones and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 7-hydroxycoumarin - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Pyranone - Phenol - Benzenoid - Pyran - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Lactone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 263.250 g/mol |
|---|---|
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 263.079 Da |
| Monoisotopic Mass | 263.079 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
