| CAS Number | 1275543-98-0 |
| Catalog Number | AG01B6W1 |
| Chemical Name | 2-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid |
| IUPAC Name | 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid |
| InChI | InChI=1S/C11H10N2O4/c14-10(15)7-16-6-9-12-11(13-17-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15) |
| InChI Key | NKXUTGPWRBVUJC-UHFFFAOYSA-N |
| MDL Number | MFCD13198686 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | OC(COCC1ON=C(C2=CC=CC=C2)N=1)=O |
| Synonyms | 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid,
1275543-98-0,
ZINC41064729,
AKOS009158674,
MCULE-4700730036,
Z2582507842,
|
| Complexity | 256 |
| 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 | 5 |
| Topological Polar Surface Area | 85.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number