≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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(=O)OC1=C(C(=C(C=C1)C=O)[N+](=O)[O-])OC |
|---|---|
| IUPAC Name | (4-formyl-2-methoxy-3-nitrophenyl) acetate |
| InChIKey | HCFBQKXQWQSMNV-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO6/c1-6(13)17-8-4-3-7(5-12)9(11(14)15)10(8)16-2/h3-5H,1-2H3 |
| Isomeric SMILES | CC(=O)OC1=C(C(=C(C=C1)C=O)[N+](=O)[O-])OC |
| PubChem CID | 246319 |
| Molecular Weight | 239.18 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | Nitrobenzaldehydes Phenol esters Methoxyanilines Phenoxy compounds Anisoles Benzaldehydes Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Nitrobenzaldehyde - Phenol ester - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 239.180 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 239.043 Da |
| Monoisotopic Mass | 239.043 Da |
| Topological Polar Surface Area | 98.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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 |
