| CAS Number | 1195159-84-2 |
| Catalog Number | AG01AAVX(AGN-PC-0WNLYG) |
| Chemical Name | 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid |
| IUPAC Name | 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid |
| InChI | InChI=1S/C10H9NO4/c1-5-9(12)11-7-4-2-3-6(10(13)14)8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14) |
| InChI Key | CJWMPXSPYXEIOE-UHFFFAOYSA-N |
| MDL Number | MFCD16631264 |
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.1828 |
| SMILES | CC1C(=O)NC2=C(C(C(O)=O)=CC=C2)O1 |
| Synonyms | 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid,
1195159-84-2,
2-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid,
AC1Q2RJG,
SCHEMBL2351573,
KS-00003HHQ,
MFCD16631264,
AKOS022692420,
AS-8513,
MCULE-4676515266,
NE20039,
EN300-69735,
Z1171978798,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.185g/mol |
| Monoisotopic Mass | 207.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number