| CAS Number | 1021243-39-9 |
| Catalog Number | AG01C0AM |
| Chemical Name | 4-(2,6-Dimethylmorpholin-4-yl)benzoic acid |
| IUPAC Name | 4-(2,6-dimethylmorpholin-4-yl)benzoic acid |
| InChI | InChI=1S/C13H17NO3/c1-9-7-14(8-10(2)17-9)12-5-3-11(4-6-12)13(15)16/h3-6,9-10H,7-8H2,1-2H3,(H,15,16) |
| InChI Key | OTRDBTJTZUXOKP-UHFFFAOYSA-N |
| MDL Number | MFCD11156519 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | CC1OC(C)CN(C2=CC=C(C(O)=O)C=C2)C1 |
| Synonyms | 4-(2,6-dimethylmorpholin-4-yl)benzoic acid,
SCHEMBL607498,
AKOS000260044,
AKOS022487397,
F1908-1769,
1021243-39-9,
|
| Complexity | 264 |
| 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 | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number