| CAS Number | 396129-93-4 |
| Catalog Number | AG00D5R9(AGN-PC-0RKAXI) |
| Chemical Name | 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid |
| IUPAC Name | 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid |
| InChI | InChI=1S/C13H15NO3/c15-11-8-4-5-9-14(11)12(13(16)17)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,16,17) |
| InChI Key | CQHQRANYGPPLRE-UHFFFAOYSA-N |
| MDL Number | MFCD11214966 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | OC(C(C1=CC=CC=C1)N1C(=O)CCCC1)=O |
| Synonyms | 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid,
396129-93-4,
AC1Q71S7,
AKOS008113888,
MCULE-8547735661,
NE29791,
(2-Oxo-1-piperidinyl)(phenyl)acetic acid,
EN300-67550,
1-Piperidineacetic acid, 2-oxo--alpha--phenyl-,
Z1178484512,
1-Piperidineacetic acid, 2-oxo--alpha--phenyl-,
|
| Complexity | 297 |
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number