≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| 정식 스마일 | CC(C)(C)OC(=O)NC(C)(CC1=CC=CC=C1)C(=O)O |
|---|---|
| IUPAC Name | (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid |
| InChIKey | FAXPKABRZLISKX-OAHLLOKOSA-N |
| INCHI | 1S/C15H21NO4/c1-14(2,3)20-13(19)16-15(4,12(17)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)/t15-/m1/s1 |
| 이성체 SMILES | C[C@@](CC1=CC=CC=C1)(C(=O)O)NC(=O)OC(C)(C)C |
| 분자량 | 279.3 |
| Reaxy-Rn | 6219139 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6219139&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 |
| 분류 | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Amphetamines and derivatives Alpha amino acids and derivatives Phenylpropanes Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
| 분자량 | 279.330 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 279.147 Da |
| Monoisotopic Mass | 279.147 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 355.000 |
| 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 |
