| CAS Number | 926262-25-1 |
| Catalog Number | AG019ZWI |
| Chemical Name | 1-(3,4,5-Triethoxybenzoyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C19H27NO6/c1-4-24-15-10-14(11-16(25-5-2)17(15)26-6-3)18(21)20-9-7-8-13(12-20)19(22)23/h10-11,13H,4-9,12H2,1-3H3,(H,22,23) |
| InChI Key | KOMGPYNSVIBDAA-UHFFFAOYSA-N |
| MDL Number | MFCD09043919 |
| Molecular Formula | C19H27NO6 |
| Molecular Weight | 365.4208 |
| SMILES | CCOC1=C(OCC)C(OCC)=CC(C(N2CC(C(O)=O)CCC2)=O)=C1 |
| Synonyms | 1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxylic acid,
926262-25-1,
CTK6G0929,
AKOS002434039,
AKOS016608504,
NE59191,
1-(3,4,5-TRIETHOXY-BENZOYL)-PIPERIDINE-3-CARBOXYLIC ACID,
1-[(3,4,5-triethoxyphenyl)carbonyl]piperidine-3-carboxylic acid,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.426g/mol |
| Monoisotopic Mass | 365.184g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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