≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Pubchem Sid | 508813067 |
|---|---|
| Canonical Smiles | C1COCCC1CC(=O)O |
| IUPAC Name | 2-(oxan-4-yl)acetic acid |
| InChIKey | PBXYNWPYMVWJAH-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O3/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H,8,9) |
| Isomeric SMILES | C1COCCC1CC(=O)O |
| Molecular Weight | 144.17 |
| Reaxy-Rn | 115154 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115154&ln= |
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 | Organoheterocyclic compounds |
| Class | Oxanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxanes |
| Alternative Parents | Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxane - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2426538 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426540 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426544 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426545 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426548 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426549 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426552 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426553 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426555 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| K2426561 | Certificate of Analysis | Jul 23, 2024 | O177634 |
| Molecular Weight | 144.170 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 144.079 Da |
| Monoisotopic Mass | 144.079 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
