≥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.
| Canonical Smiles | CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O |
|---|---|
| IUPAC Name | 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid |
| InChIKey | LDFRDLKJPCOLHU-UHFFFAOYSA-N |
| INCHI | 1S/C18H19NO4/c1-18(2,3)23-17(22)19-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16(20)21/h4-11H,1-3H3,(H,19,22)(H,20,21) |
| Molecular Weight | 313.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Phenylcarbamic acid esters Benzoic acids Benzoyl derivatives Carbamate esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Phenylcarbamic acid ester - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Molecular Weight | 313.300 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 313.131 Da |
| Monoisotopic Mass | 313.131 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| 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 |
![3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-3-carboxylic acid - ≥95% , CAS No.904086-01-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)