≥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.
| Sonrisas canónicas | C1COC2=C1C=C(C=C2C(=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-nitro-2,3-dihydro-1-benzofuran-7-carboxylic acid |
| InChIKey | HGZXANUIYKGGSW-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO5/c11-9(12)7-4-6(10(13)14)3-5-1-2-15-8(5)7/h3-4H,1-2H2,(H,11,12) |
| Isómeros SMILES | C1COC2=C1C=C(C=C2C(=O)O)[N+](=O)[O-] |
| PubChem CID | 14838655 |
| Peso molecular | 209.16 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | Coumarans Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitrobenzoate - Coumaran - Nitroaromatic compound - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 209.160 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.032 Da |
| Monoisotopic Mass | 209.032 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| 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 |
![5-Nitro-2,3-dihydrobenzo[b]furan-7-carboxylic acid - ≥95% , CAS No.99517-31-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)