| CAS Number | 87837-43-2 |
| Catalog Number | AG01B1TE |
| Chemical Name | 3-(2,2-Dichlorocyclopropyl)propanoic acid |
| IUPAC Name | 3-(2,2-dichlorocyclopropyl)propanoic acid |
| InChI | InChI=1S/C6H8Cl2O2/c7-6(8)3-4(6)1-2-5(9)10/h4H,1-3H2,(H,9,10) |
| InChI Key | AQFCAHAVXIEJEV-UHFFFAOYSA-N |
| MDL Number | MFCD29907186 |
| Molecular Formula | C6H8Cl2O2 |
| Molecular Weight | 183.0325 |
| SMILES | OC(CCC1C(Cl)(Cl)C1)=O |
| Synonyms | 3-(2,2-dichlorocyclopropyl)propanoic acid,
87837-43-2,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.028g/mol |
| Monoisotopic Mass | 181.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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