| CAS Number | 71666-05-2 |
| Catalog Number | AG00IC6O(AGN-PC-0WCWZ7) |
| Chemical Name | cis-2-(Ethoxycarbonyl)cyclopropane carboxylic acid |
| IUPAC Name | (1S,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5+/m0/s1 |
| InChI Key | BRVQFDJETHFEQY-CRCLSJGQSA-N |
| MDL Number | MFCD26383404 |
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.1519 |
| SMILES | CCOC(=O)[C@@H]1C[C@@H]1C(=O)O |
| Synonyms | CIS-1,2-CYCLOPROPANE-DICARBOXYLIC ACID MONO ETHYL ESTER,
71666-05-2,
cis--2-(Ethoxycarbonyl)cyclopropanecarboxylic acid,
ZINC1767636,
MFCD26383404,
FCH2689385,
FCH3975691,
AJ-31670,
AS-42480,
BBV-57593148,
trans-2-(Ethoxycarbonyl)cyclopropanecarboxylic acid,
31420-66-3,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.153g/mol |
| Monoisotopic Mass | 158.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number