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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 | C1CC1(CO)C(=O)O |
|---|---|
| IUPAC Name | 1-(hydroxymethyl)cyclopropane-1-carboxylic acid |
| InChIKey | TYFMINBPAYVYCW-UHFFFAOYSA-N |
| INCHI | 1S/C5H8O3/c6-3-5(1-2-5)4(7)8/h6H,1-3H2,(H,7,8) |
| Isomeric SMILES | C1CC1(CO)C(=O)O |
| Alternate CAS | 49640-66-6 |
| PubChem CID | 11829403 |
| Molecular Weight | 116.12 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Hydroxy acids and derivatives |
| Subclass | Beta hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta hydroxy acids and derivatives |
| Alternative Parents | Cyclopropanecarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Beta-hydroxy acid - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 116.110 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.047 Da |
| Monoisotopic Mass | 116.047 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 115.000 |
| 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 |