| CAS Number | 251310-52-8 |
| Catalog Number | AG00IMZ7(AGN-PC-0KKQOL) |
| Chemical Name | Ethyl 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetate |
| IUPAC Name | ethyl 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetate |
| InChI | InChI=1S/C15H18N2O4/c1-2-21-15(18)11-12-7-9-16(10-8-12)13-3-5-14(6-4-13)17(19)20/h3-6,11H,2,7-10H2,1H3 |
| InChI Key | CWNPOEUWKAVXMO-UHFFFAOYSA-N |
| MDL Number | MFCD00180777 |
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.3144 |
| SMILES | CCOC(=O)C=C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 251310-52-8,
ethyl 2-[1-(4-nitrophenyl)-4-piperidinylidene]acetate,
ethyl 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetate,
AC1MCATF,
Oprea1_414164,
SCHEMBL13027436,
KS-00001QOV,
ZINC4002051,
AKOS005074554,
MCULE-5304550902,
10G-956,
ZINC04002051,
CID2765118,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.319g/mol |
| Monoisotopic Mass | 290.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number