| CAS Number | 1103961-49-4 |
| Catalog Number | AG019WY7 |
| Chemical Name | 1-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid |
| IUPAC Name | 1-[3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid |
| InChI | InChI=1S/C15H16ClNO3/c16-12-7-4-11(5-8-12)6-9-14(18)17-10-2-1-3-13(17)15(19)20/h4-9,13H,1-3,10H2,(H,19,20) |
| InChI Key | FAWKEDOABDTXJB-UHFFFAOYSA-N |
| MDL Number | MFCD09934104 |
| Molecular Formula | C15H16ClNO3 |
| Molecular Weight | 293.7454 |
| SMILES | O=C(C1N(C(/C=C/C2=CC=C(Cl)C=C2)=O)CCCC1)O |
| Synonyms | 1-[3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid,
1103961-49-4,
CTK7I9103,
AKOS030663785,
MCULE-9339830230,
Z85895946,
1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.747g/mol |
| Monoisotopic Mass | 293.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number