| CAS Number | 1803600-94-3 |
| Catalog Number | AG01B7QW |
| Chemical Name | methyl 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate |
| IUPAC Name | methyl 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-12-9(11)8-6-4-2-3-5-7(6)13-10-8/h2-5H2,1H3 |
| InChI Key | VGZAJNBRGADOQY-UHFFFAOYSA-N |
| MDL Number | MFCD28246310 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(C1C2=C(CCCC2)ON=1)=O |
| Synonyms | methyl 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate,
1803600-94-3,
ZINC216713695,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.073893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.19g/mol |
| Monoisotopic Mass | 181.073893g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number