1-(4-Carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 40306-01-2
Catalog: |
BB070537 |
Product Name: |
1-(4-Carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
40306-01-2 |
Synonyms: |
1-(4-carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid; 1-(4-carboxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid |
IUPAC Name: | 1-(4-carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(4-Carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 249.22 |
Molecular Formula: | C12H11NO5 |
Canonical SMILES: | C1C(CN(C1=O)C2=CC=C(C=C2)C(=O)O)C(=O)O |
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 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.06372245 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 94.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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