| CAS Number | 1951441-06-7 |
| Catalog Number | AG00I38F(AGN-PC-0WQWTX) |
| Chemical Name | Ethyl 3-methyl-2H-1,4-benzoxazine-2-carboxylate |
| IUPAC Name | ethyl 3-methyl-2H-1,4-benzoxazine-2-carboxylate |
| InChI | InChI=1S/C12H13NO3/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,11H,3H2,1-2H3 |
| InChI Key | ZMXWOKDTEWBXDI-UHFFFAOYSA-N |
| MDL Number | MFCD29059782 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | CCOC(=O)C1Oc2ccccc2N=C1C |
| Synonyms | 1951441-06-7,
Ethyl 3-methyl-2H-benzo[b][1,4]oxazine-2-carboxylate,
ETHYL 3-METHYL-2H-1,4-BENZOXAZINE-2-CARBOXYLATE,
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| 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 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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