| CAS Number | 292139-34-5 |
| Catalog Number | AG01BCTP |
| Chemical Name | 1-(2-methylpropyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione |
| IUPAC Name | 1-(2-methylpropyl)-3,1-benzoxazine-2,4-dione |
| InChI | InChI=1S/C12H13NO3/c1-8(2)7-13-10-6-4-3-5-9(10)11(14)16-12(13)15/h3-6,8H,7H2,1-2H3 |
| InChI Key | ZQTLLCOTAWSEHN-UHFFFAOYSA-N |
| MDL Number | MFCD06490508 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | CC(CN1C2=C(C=CC=C2)C(=O)OC1=O)C |
| Synonyms | 1-(2-methylpropyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione,
292139-34-5,
AC1MS4TT,
N-isobutyl isatoic anhydride,
SCHEMBL8070199,
ZQTLLCOTAWSEHN-UHFFFAOYSA-N,
ZINC5234846,
AKOS002664964,
NE35502,
1-(2-methylpropyl)-3,1-benzoxazine-2,4-dione,
ZINC05234846,
CID3578689,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number