| CAS Number | 1909293-92-0 |
| Catalog Number | AG01C33X |
| Chemical Name | rac-methyl (1R,2S)-2-ethynylcyclopropane-1-carboxylate, cis |
| IUPAC Name | methyl (1R,2S)-2-ethynylcyclopropane-1-carboxylate |
| InChI | InChI=1S/C7H8O2/c1-3-5-4-6(5)7(8)9-2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1 |
| InChI Key | UWIXUVYYEOQGCP-NTSWFWBYSA-N |
| MDL Number | MFCD29764274 |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.1372 |
| SMILES | COC(=O)[C@@H]1C[C@@H]1C#C |
| Synonyms | 1909293-92-0,
ZINC39244972,
EN300-254136,
methyl (1R,2S)-2-ethynylcyclopropane-1-carboxylate,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.139g/mol |
| Monoisotopic Mass | 124.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number