≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O |
|---|---|
| IUPAC Name | 4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoic acid |
| InChIKey | MFXRVNBWYHSTOY-UHFFFAOYSA-N |
| INCHI | 1S/C18H15NO4/c20-16-14-10-5-6-11(13-7-12(10)13)15(14)17(21)19(16)9-3-1-8(2-4-9)18(22)23/h1-6,10-15H,7H2,(H,22,23) |
| Isomeric SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O |
| PubChem CID | 2861031 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Phenylpyrrolidines Isoindolones Benzoic acids Benzoyl derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Isoindolone - Benzoic acid - Isoindoline - Isoindole or derivatives - Benzoyl - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 309.300 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 309.1 Da |
| Monoisotopic Mass | 309.1 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 597.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoic acid - ≥97% , CAS No.354812-64-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)