| CAS Number | 1820747-17-8 |
| Catalog Number | AG00I151(AGN-PC-0WR2R4) |
| Chemical Name | Methyl 1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate |
| IUPAC Name | methyl 1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C12H13NO4/c1-17-12(16)8-6-11(15)13(7-8)9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3 |
| InChI Key | GHTQZGHXONCENX-UHFFFAOYSA-N |
| MDL Number | MFCD26523337 |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.2359 |
| SMILES | COC(=O)C1CC(=O)N(C1)c1ccccc1O |
| Synonyms | METHYL 1-(2-HYDROXYPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLATE,
1820747-17-8,
KM5535,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.239g/mol |
| Monoisotopic Mass | 235.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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