| CAS Number | 128156-55-8 |
| Catalog Number | AG00HRRL(AGN-PC-001ZBD) |
| Chemical Name | Methyl 2-methylbenzo[d]oxazole-4-carboxylate |
| IUPAC Name | methyl 2-methyl-1,3-benzoxazole-4-carboxylate |
| InChI | InChI=1S/C10H9NO3/c1-6-11-9-7(10(12)13-2)4-3-5-8(9)14-6/h3-5H,1-2H3 |
| InChI Key | XDEABWGAOREBSR-UHFFFAOYSA-N |
| MDL Number | MFCD25978082 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | COC(C1=C2C(OC(=N2)C)=CC=C1)=O |
| Synonyms | Methyl 2-methylbenzo[d]oxazole-4-carboxylate,
128156-55-8,
4-Benzoxazolecarboxylic acid, 2-methyl-, methyl ester,
SCHEMBL1398896,
XDEABWGAOREBSR-UHFFFAOYSA-N,
ZINC34330351,
methyl 2-methylbenzoxazole-4-carboxylate,
AJ-87993,
2-Methylbenzoxazole-4-carboxylic acid methyl ester,
methyl 2-methyl-4-benzoxazolecarboxylate,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number