| CAS Number | 1221792-78-4 |
| Catalog Number | AG00IS2O(AGN-PC-0WAYU5) |
| Chemical Name | Methyl 7-methoxy-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxylate |
| IUPAC Name | methyl 7-methoxy-2-oxo-3H-1,3-benzoxazole-5-carboxylate |
| InChI | InChI=1S/C10H9NO5/c1-14-7-4-5(9(12)15-2)3-6-8(7)16-10(13)11-6/h3-4H,1-2H3,(H,11,13) |
| InChI Key | BVONGQIOYMDMGS-UHFFFAOYSA-N |
| MDL Number | MFCD16140363 |
| Molecular Formula | C10H9NO5 |
| Molecular Weight | 223.1822 |
| SMILES | O=C1(OC2(=C(OC)C=C(C=C2(N1))C(=O)OC)) |
| Synonyms | methyl 7-methoxy-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate,
1221792-78-4,
Methyl 7-methoxy-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxylate,
CTK6I9441,
KS-000023PZ,
MFCD16140363,
SBB096466,
ZINC43827854,
AKOS005072294,
CE-0007,
RP12887,
AJ-108915,
TR-071132,
methyl 7-methoxy-2-oxo-3-hydrobenzoxazole-5-carboxylate,
methyl 7-methoxy-2-oxo-3H-1,3-benzoxazole-5-carboxylate,
Methyl 7-Methoxy-2-oxo-2,3-dihydrobenzoxazole-5-carboxylate,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.184g/mol |
| Monoisotopic Mass | 223.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number