| CAS Number | 1221792-20-6 |
| Catalog Number | AG00IW74(AGN-PC-0WAXVP) |
| Chemical Name | methyl 7-methoxy-1,3-benzoxazole-5- carboxylate |
| IUPAC Name | methyl 7-methoxy-1,3-benzoxazole-5-carboxylate |
| InChI | InChI=1S/C10H9NO4/c1-13-8-4-6(10(12)14-2)3-7-9(8)15-5-11-7/h3-5H,1-2H3 |
| InChI Key | CHLOLBJKPXUMIJ-UHFFFAOYSA-N |
| MDL Number | MFCD14584793 |
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.1828 |
| SMILES | O=C(OC)C1(=CC(OC)=C2(OC=NC2(=C1))) |
| Synonyms | methyl 7-methoxy-1,3-benzoxazole-5-carboxylate,
1221792-20-6,
Methyl 7-methoxybenzo[d]oxazole-5-carboxylate,
methyl 7-methoxybenzoxazole-5-carboxylate,
CTK6I9446,
MFCD14584793,
SBB093824,
STL433337,
ZINC43827472,
AKOS005071634,
AE-0098,
RP12063,
KS-0000221H,
AJ-108792,
TR-070853,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.185g/mol |
| Monoisotopic Mass | 207.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number