| CAS Number | 910443-46-8 |
| Catalog Number | AG00GRX5(AGN-PC-0WRAFB) |
| Chemical Name | Methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate |
| IUPAC Name | methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C13H15NO4/c1-17-11-6-4-3-5-10(11)14-8-9(7-12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3 |
| InChI Key | ASQNLJSCRKWEGH-UHFFFAOYSA-N |
| MDL Number | MFCD08752866 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.2625 |
| SMILES | COC(=O)C1CC(=O)N(C1)c1ccccc1OC |
| Synonyms | methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate,
910443-46-8,
BBL021706,
KM5099,
MFCD08752866,
STK894422,
AKOS005132850,
MCULE-8139388092,
1-(2-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid methyl ester,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.266g/mol |
| Monoisotopic Mass | 249.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number