≥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.
| Canonical Smiles | C1CN(CCC12OCCO2)C(CC(=O)O)C3=CC4=C(C=C3)OCO4 |
|---|---|
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid |
| InChIKey | BFIDUHPIMJZCRB-UHFFFAOYSA-N |
| INCHI | 1S/C17H21NO6/c19-16(20)10-13(12-1-2-14-15(9-12)22-11-21-14)18-5-3-17(4-6-18)23-7-8-24-17/h1-2,9,13H,3-8,10-11H2,(H,19,20) |
| Isomeric SMILES | C1CN(CCC12OCCO2)C(CC(=O)O)C3=CC4=C(C=C3)OCO4 |
| PubChem CID | 18526026 |
| Molecular Weight | 335.36 |
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 | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Benzodioxoles Ketals Aralkylamines Piperidines Benzenoids 1,3-dioxolanes Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - Benzodioxole - Aralkylamine - Ketal - Piperidine - Benzenoid - Meta-dioxolane - Amino acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Acetal - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 335.400 g/mol |
|---|---|
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 335.137 Da |
| Monoisotopic Mass | 335.137 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 |
![3-(1,3-Benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propanoic acid - ≥95% , CAS No.886361-92-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)