| CAS Number | 103711-16-6 |
| Catalog Number | AG01B2KB(AGN-PC-0NVLSC) |
| Chemical Name | Methyl (2S)-1-(prop-2-yn-1-yl)pyrrolidine-2-carboxylate |
| IUPAC Name | methyl (2S)-1-prop-2-ynylpyrrolidine-2-carboxylate |
| InChI | InChI=1S/C9H13NO2/c1-3-6-10-7-4-5-8(10)9(11)12-2/h1,8H,4-7H2,2H3/t8-/m0/s1 |
| InChI Key | NTRNTMCVMHUZEA-QMMMGPOBSA-N |
| MDL Number | MFCD29991645 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | COC([C@H]1N(CC#C)CCC1)=O |
| Synonyms | 103711-16-6,
methyl (2S)-1-(prop-2-yn-1-yl)pyrrolidine-2-carboxylate,
ZINC50048810,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number