| CAS Number | 916210-01-0 |
| Catalog Number | AG00IGSH |
| Chemical Name | 2-Methyl-3-oxo-3,4-dihydro-2H-benzo[B][1,4]oxazine-6-carbonitrile |
| IUPAC Name | 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonitrile |
| InChI | InChI=1S/C10H8N2O2/c1-6-10(13)12-8-4-7(5-11)2-3-9(8)14-6/h2-4,6H,1H3,(H,12,13) |
| InChI Key | VNZFXBSSSXXBRT-UHFFFAOYSA-N |
| MDL Number | MFCD10699546 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | N#Cc1ccc2c(c1)NC(=O)C(O2)C |
| Synonyms | 2-METHYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBONITRILE,
916210-01-0,
SCHEMBL6999048,
MFCD10699546,
AKOS006305117,
MB08915,
2-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBONITRILE,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number