| CAS Number | 731826-96-3 |
| Catalog Number | AG00FC7S |
| Chemical Name | 3-Ethoxy-4-(2-oxo-2-(piperidin-1-yl)ethoxy)benzoic acid |
| IUPAC Name | 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid |
| InChI | InChI=1S/C16H21NO5/c1-2-21-14-10-12(16(19)20)6-7-13(14)22-11-15(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20) |
| InChI Key | ZQQRFYQNXBKLEZ-UHFFFAOYSA-N |
| MDL Number | MFCD04632057 |
| Molecular Formula | C16H21NO5 |
| Molecular Weight | 307.3416 |
| SMILES | O=C(O)C1=CC=C(OCC(N2CCCCC2)=O)C(OCC)=C1 |
| Synonyms | 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid,
731826-96-3,
3-ethoxy-4-[2-oxo-2-(piperidin-1-yl)ethoxy]benzoic acid,
3-Ethoxy-4-(2-oxo-2-(piperidin-1-yl)ethoxy)benzoic acid,
AC1M773P,
AC1Q35W9,
CTK6G1066,
ZINC3296748,
AKOS000291611,
MCULE-9232241071,
NE29617,
EN300-07602,
J-512405,
Z56955941,
CID2412376,
3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoic Acid,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.346g/mol |
| Monoisotopic Mass | 307.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number