| CAS Number | 146500-35-8 |
| Catalog Number | AG01DK6C(AGN-PC-0O3BGI) |
| Chemical Name | Methyl 5-Oxo-1-phenylpyrrolidine-2-carboxylate |
| IUPAC Name | methyl 5-oxo-1-phenylpyrrolidine-2-carboxylate |
| InChI | InChI=1S/C12H13NO3/c1-16-12(15)10-7-8-11(14)13(10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChI Key | STZZOCFZROLYDA-UHFFFAOYSA-N |
| MDL Number | MFCD10004229 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | COC(=O)C1CCC(=O)N1c1ccccc1 |
| Synonyms | methyl 5-oxo-1-phenylpyrrolidine-2-carboxylate,
146500-35-8,
SCHEMBL766149,
AKOS022203327,
CS-0061873,
1-Phenyl-5-oxopyrrolidine-2-carboxylic acid methyl ester,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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