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≥97% 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.
| Canonical Smiles | CCOC(=O)C1=CC2=C(C(=C1)O)N(N=C2)C3CCCCO3 |
|---|---|
| IUPAC Name | ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate |
| InChIKey | VORDQTLCWUKJBM-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O4/c1-2-20-15(19)10-7-11-9-16-17(14(11)12(18)8-10)13-5-3-4-6-21-13/h7-9,13,18H,2-6H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CC2=C(C(=C1)O)N(N=C2)C3CCCCO3 |
| PubChem CID | 66920492 |
| Molecular Weight | 290.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Pyrazoles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxane - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Molecular Weight | 290.310 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 290.127 Da |
| Monoisotopic Mass | 290.127 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |