≥98% 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.
| ALogP | 0.7 |
|---|
| Canonical Smiles | OC(=O)CCCOC1=C(OC)C=C(CO)C(N(=O)=O)=C1 |
|---|---|
| IUPAC Name | 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoic acid |
| InChIKey | MYBBGZZXDFIZGU-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO7/c1-19-10-5-8(7-14)9(13(17)18)6-11(10)20-4-2-3-12(15)16/h5-6,14H,2-4,7H2,1H3,(H,15,16) |
| Isomeric SMILES | COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCCCC(=O)O |
| PubChem CID | 4275355 |
| Molecular Weight | 285.26 |
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 | Methoxyanilines Phenoxy compounds Anisoles Benzyl alcohols Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Aromatic alcohols Organonitrogen compounds Primary alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzyl alcohol - Methoxybenzene - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic salt - Primary alcohol - Aromatic alcohol - Organic zwitterion - Carbonyl group - Alcohol - Organic nitrogen compound - 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 | 285.250 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 285.085 Da |
| Monoisotopic Mass | 285.085 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 330.000 |
| 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 |
![4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoic acid - ≥98% CAS No(355017-64-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/h/6/h669830.jpg)
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