| CAS Number | 1259057-13-0 |
| Catalog Number | AG01BEFB |
| Chemical Name | 4-Methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid |
| IUPAC Name | 4-methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid |
| InChI | InChI=1S/C12H13NO4/c1-13-9(14)7-17-11(12(15)16)10(13)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3,(H,15,16) |
| InChI Key | WHKTVMFCLHPCHO-UHFFFAOYSA-N |
| MDL Number | MFCD18089160 |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.2359 |
| SMILES | CN1C(=O)COC(C(O)=O)C1C1=CC=CC=C1 |
| Synonyms | 4-methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid,
1259057-13-0,
AKOS013381847,
MCULE-2382477024,
NE38494,
Z1881598906,
4-Methyl-5-oxo-3-phenyl-morpholine-2-carboxylic acid,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.239g/mol |
| Monoisotopic Mass | 235.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number