≥95% 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 | CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=O)N2C4=CC=CC(=C4)C(=O)O |
|---|---|
| IUPAC Name | 3-(6-methoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)benzoic acid |
| InChIKey | STBLEOLSCHOOSL-UHFFFAOYSA-N |
| INCHI | 1S/C19H18N2O5/c1-19-10-14(13-7-4-8-15(25-2)16(13)26-19)20-18(24)21(19)12-6-3-5-11(9-12)17(22)23/h3-9,14H,10H2,1-2H3,(H,20,24)(H,22,23) |
| Isomeric SMILES | CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=O)N2C4=CC=CC(=C4)C(=O)O |
| PubChem CID | 18559206 |
| Molecular Weight | 354.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | Benzoic acids Benzoyl derivatives Anisoles Pyrimidones Alkyl aryl ethers Diazinanes Ureas Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzopyran - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Anisole - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - 1,3-diazinane - Monocyclic benzene moiety - Urea - Carbonic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 354.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 354.122 Da |
| Monoisotopic Mass | 354.122 Da |
| Topological Polar Surface Area | 88.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 584.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
