| CAS Number | 1795440-03-7 |
| Catalog Number | AG01BEBW(AGN-PC-0WOU1Z) |
| Chemical Name | ethyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate |
| IUPAC Name | ethyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate |
| InChI | InChI=1S/C11H13NO3/c1-2-14-11(13)8-3-4-10-9(7-8)12-5-6-15-10/h3-4,7,12H,2,5-6H2,1H3 |
| InChI Key | CRJPUKKWEIOABJ-UHFFFAOYSA-N |
| MDL Number | MFCD20486657 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CCOC(C1=CC2=C(OCCN2)C=C1)=O |
| Synonyms | ethyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate,
1795440-03-7,
ZINC98095626,
AKOS026743537,
MCULE-7199649776,
NE16627,
Z1868316847,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number