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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 | COC1(CC1)C(=O)O |
|---|---|
| IUPAC Name | 1-methoxycyclopropane-1-carboxylic acid |
| InChIKey | HPOWDCXQUZLJRQ-UHFFFAOYSA-N |
| INCHI | 1S/C5H8O3/c1-8-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7) |
| Isomeric SMILES | COC1(CC1)C(=O)O |
| Alternate CAS | 100683-08-7 |
| PubChem CID | 22484226 |
| 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 | Carboxylic acids and derivatives |
| Subclass | Cyclopropanecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclopropanecarboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring. |
| External Descriptors | Not available |
| Molecular Weight | 116.110 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.047 Da |
| Monoisotopic Mass | 116.047 Da |
| Topological Polar Surface Area | 46.500 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 |