| CAS Number | 1261241-82-0 |
| Catalog Number | AG000RPC(AGN-PC-0WCYVZ) |
| Chemical Name | trans-Benzyl 3-hydroxy-4-vinylpyrrolidine-1-carboxylate |
| IUPAC Name | benzyl (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C14H17NO3/c1-2-12-8-15(9-13(12)16)14(17)18-10-11-6-4-3-5-7-11/h2-7,12-13,16H,1,8-10H2/t12-,13-/m0/s1 |
| InChI Key | SURBGBXZQCEZPR-STQMWFEESA-N |
| MDL Number | MFCD22573907 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | O[C@H]1CN(C[C@@H]1C=C)C(=O)OCC1=CC=CC=C1 |
| Synonyms | TRANS-BENZYL 3-HYDROXY-4-VINYLPYRROLIDINE-1-CARBOXYLATE,
1261241-82-0,
SCHEMBL12225528,
SURBGBXZQCEZPR-STQMWFEESA-N,
MFCD22573907,
ZINC91691928,
AKOS027339048,
FCH3906474,
AS-38341,
AX8266939,
X-2353,
(3R,4S)-benzyl 3-hydroxy-4-vinylpyrrolidine-1-carboxylate,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number