| CAS Number | 1268047-11-5 |
| Catalog Number | AG01DYMV |
| Chemical Name | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propanoic acid |
| IUPAC Name | 3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoic acid |
| InChI | InChI=1S/C11H11NO4/c13-10-6-16-9-3-1-7(2-4-11(14)15)5-8(9)12-10/h1,3,5H,2,4,6H2,(H,12,13)(H,14,15) |
| InChI Key | KABSKLUTMYWZHX-UHFFFAOYSA-N |
| MDL Number | MFCD19318555 |
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.2093 |
| SMILES | OC(CCC1=CC2=C(OCC(N2)=O)C=C1)=O |
| Synonyms | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propanoic acid,
1268047-11-5,
AKOS022346042,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.212g/mol |
| Monoisotopic Mass | 221.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number