| CAS Number | 1803592-33-7 |
| Catalog Number | AG01BDZJ |
| Chemical Name | methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate |
| IUPAC Name | methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate |
| InChI | InChI=1S/C10H13NO3/c1-6-3-4-8-7(5-6)9(11-14-8)10(12)13-2/h6H,3-5H2,1-2H3 |
| InChI Key | FXMGWAZBCBGPRR-UHFFFAOYSA-N |
| MDL Number | MFCD28063747 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | COC(C1C2=C(CCC(C2)C)ON=1)=O |
| Synonyms | methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate,
1803592-33-7,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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