| CAS Number | 933736-96-0 |
| Catalog Number | AG01AP39 |
| Chemical Name | 3-[2-(Morpholin-4-yl)phenyl]propanoic acid |
| IUPAC Name | 3-(2-morpholin-4-ylphenyl)propanoic acid |
| InChI | InChI=1S/C13H17NO3/c15-13(16)6-5-11-3-1-2-4-12(11)14-7-9-17-10-8-14/h1-4H,5-10H2,(H,15,16) |
| InChI Key | HGJPWNIWHQPMPY-UHFFFAOYSA-N |
| MDL Number | MFCD10035597 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | O1CCN(CC1)C1=C(C=CC=C1)CCC(=O)O |
| Synonyms | 3-[2-(morpholin-4-yl)phenyl]propanoic acid,
933736-96-0,
ZINC20269652,
AKOS022212197,
Z2235681407,
2-(4-morpholinyl)-benzenepropanoic acid,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number