| CAS Number | 1197944-26-5 |
| Catalog Number | AG00IRM6(AGN-PC-0WAXVS) |
| Chemical Name | methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate |
| IUPAC Name | methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate |
| InChI | InChI=1S/C11H11NO4/c1-6-12-8-4-7(11(13)15-3)5-9(14-2)10(8)16-6/h4-5H,1-3H3 |
| InChI Key | MSVIYBOHETWCGT-UHFFFAOYSA-N |
| MDL Number | MFCD14584796 |
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.2093 |
| SMILES | O=C(OC)C1(=CC(OC)=C2(OC(=NC2(=C1))C)) |
| Synonyms | methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate,
1197944-26-5,
methyl 7-methoxy-2-methylbenzoxazole-5-carboxylate,
Methyl 7-methoxy-2-methylbenzo[d]oxazole-5-carboxylate,
SCHEMBL1144796,
CTK6I9444,
MSVIYBOHETWCGT-UHFFFAOYSA-N,
MFCD14584796,
SBB096120,
ZINC43827478,
AKOS005071646,
AE-0108,
RP12782,
KS-0000221K,
AC-29848,
SY058995,
AJ-108794,
TR-070856,
MFCD14584796 (97%),
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.212g/mol |
| Monoisotopic Mass | 221.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number