| CAS Number | 1187933-27-2 |
| Catalog Number | AG007PQB(AGN-PC-3H453L) |
| Chemical Name | Trans-methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate |
| IUPAC Name | methyl (3R,4S)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate |
| InChI | InChI=1S/C13H17NO3/c1-16-10-5-3-9(4-6-10)11-7-14-8-12(11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3/t11-,12+/m1/s1 |
| InChI Key | YZBHPTZUARKXKZ-NEPJUHHUSA-N |
| MDL Number | MFCD01862548 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | COC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)OC |
| Synonyms | (3r,4S)-methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate,
1187933-27-2,
trans-methyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate,
939758-17-5,
Trans-methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate,
SCHEMBL14353917,
CTK8D3718,
(3R,4S)-rel-Methyl 4-(4-methoxyphenyl)-3-pyrrolidinecarboxylate,
ZINC2386741,
MFCD01862548,
AKOS015851890,
AKOS015898242,
CM-1902,
FS-6582,
AJ-35376,
TC-071727,
I11-0207,
trans (+/-) 4-(4-Methoxyphenyl)pyrrolidine-3-methylcarboxylate,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number