| CAS Number | 1285045-55-7 |
| Catalog Number | AG01B52X |
| Chemical Name | 1-(3-fluorophenyl)-6-oxopiperidine-3-carboxylic acid |
| IUPAC Name | 1-(3-fluorophenyl)-6-oxopiperidine-3-carboxylic acid |
| InChI | InChI=1S/C12H12FNO3/c13-9-2-1-3-10(6-9)14-7-8(12(16)17)4-5-11(14)15/h1-3,6,8H,4-5,7H2,(H,16,17) |
| InChI Key | QTEXNGJSKPHGAF-UHFFFAOYSA-N |
| MDL Number | MFCD17958536 |
| Molecular Formula | C12H12FNO3 |
| Molecular Weight | 237.227 |
| SMILES | OC(C1CN(C2=CC(F)=CC=C2)C(=O)CC1)=O |
| Synonyms | 1-(3-fluorophenyl)-6-oxopiperidine-3-carboxylic acid,
1285045-55-7,
AKOS011585830,
Z2517097774,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.23g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number