| CAS Number | 134372-61-5 |
| Catalog Number | AG01DYOB(AGN-PC-0N8ACZ) |
| Chemical Name | 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid |
| IUPAC Name | 4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid |
| InChI | InChI=1S/C10H11NO3/c1-11-5-6-14-9-7(10(12)13)3-2-4-8(9)11/h2-4H,5-6H2,1H3,(H,12,13) |
| InChI Key | LOMBTNSVSZTUDK-UHFFFAOYSA-N |
| MDL Number | MFCD20640437 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CN1C2=C(C(C(O)=O)=CC=C2)OCC1 |
| Synonyms | 134372-61-5,
4-methyl-3,4-dihydro-2h-benzo[1,4]oxazine-8-carboxylic acid,
4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid,
SCHEMBL1339887,
LOMBTNSVSZTUDK-UHFFFAOYSA-N,
AKOS017532115,
4-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid,
CID10655404,
10-methyl-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-triene-5-carboxylic Acid,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number