| CAS Number | 923682-07-9 |
| Catalog Number | AG019KLA |
| Chemical Name | 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid |
| IUPAC Name | 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid |
| InChI | InChI=1S/C11H10N2O4/c1-7-12-10(13-17-7)6-16-9-4-2-3-8(5-9)11(14)15/h2-5H,6H2,1H3,(H,14,15) |
| InChI Key | MXTQTENLUSJLFY-UHFFFAOYSA-N |
| MDL Number | MFCD08444854 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | CC1ON=C(COC2=CC(C(O)=O)=CC=C2)N=1 |
| Synonyms | 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid,
923682-07-9,
3-((5-methyl-1,2,4-oxadiazol-3-yl)methoxy)benzoic acid,
AC1Q2OY9,
CTK6C5766,
ZINC14248125,
AKOS009113485,
MCULE-3441674599,
NE26979,
EN300-27396,
Z228588682,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.211g/mol |
| Monoisotopic Mass | 234.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 85.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number