| CAS Number | 40306-01-2 |
| Catalog Number | AG00I7WN(AGN-PC-0WOIAH) |
| Chemical Name | 1-(4-Carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(4-carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H11NO5/c14-10-5-8(12(17)18)6-13(10)9-3-1-7(2-4-9)11(15)16/h1-4,8H,5-6H2,(H,15,16)(H,17,18) |
| InChI Key | UZECZYSJVJKQKO-UHFFFAOYSA-N |
| MDL Number | MFCD12207487 |
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.2194 |
| SMILES | OC(=O)C1CN(C(=O)C1)c1ccc(cc1)C(=O)O |
| Synonyms | 40306-01-2,
1-(4-carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid,
1-(4-carboxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid,
SCHEMBL20676027,
1-(4-carboxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid,
STK634633,
AKOS004939156,
MCULE-2154103049,
AO-365/43467526,
UZECZYSJVJKQKO-UHFFFAOYSA-N,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.222g/mol |
| Monoisotopic Mass | 249.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number