1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 63674-63-5
Catalog: |
BB055896 |
Product Name: |
1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
63674-63-5 |
Synonyms: |
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid; 1-(3,5-Dimethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid; 1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid |
IUPAC Name: | 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)O)C |
InChI: | InChI=1S/C13H15NO3/c1-8-3-9(2)5-11(4-8)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17) |
InChI Key: | ZVYUEYJQRCOJDI-UHFFFAOYSA-N |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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