| CAS Number | 1511528-39-4 |
| Catalog Number | AG01BJB1 |
| Chemical Name | 2-oxo-2,4-dihydro-1H-3,1-benzoxazine-6-carboxylic acid |
| IUPAC Name | 2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxylic acid |
| InChI | InChI=1S/C9H7NO4/c11-8(12)5-1-2-7-6(3-5)4-14-9(13)10-7/h1-3H,4H2,(H,10,13)(H,11,12) |
| InChI Key | DMWWXCCWRWPZIQ-UHFFFAOYSA-N |
| MDL Number | MFCD26710445 |
| Molecular Formula | C9H7NO4 |
| Molecular Weight | 193.1562 |
| SMILES | OC(C1=CC2=C(NC(OC2)=O)C=C1)=O |
| Synonyms | 2-oxo-2,4-dihydro-1H-3,1-benzoxazine-6-carboxylic acid,
1511528-39-4,
ZINC84324932,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.158g/mol |
| Monoisotopic Mass | 193.038g/mol |
| Rotatable Bond Count | 1 |
| 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