| CAS Number | 63674-69-1 |
| Catalog Number | AG019L8I(AGN-PC-00UY4Z) |
| Chemical Name | 1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C13H15NO3/c1-2-9-4-3-5-11(6-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17) |
| InChI Key | RBDGGOFJVGYIEY-UHFFFAOYSA-N |
| MDL Number | MFCD08444845 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | CCC1=CC(N2C(=O)CC(C(O)=O)C2)=CC=C1 |
| Synonyms | 1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid,
63674-69-1,
AC1Q2T7U,
CTK6D1970,
AKOS000142410,
AKOS022489457,
MCULE-3893790731,
NE48692,
EN300-30441,
Z228588658,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number