| CAS Number | 131467-94-2 |
| Catalog Number | AG00VSXR(AGN-PC-0KSB8H) |
| Chemical Name | 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetic acid |
| IUPAC Name | 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetic acid |
| InChI | InChI=1S/C10H8N2O3/c13-9(14)6-8-11-12-10(15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14) |
| InChI Key | YGRNVAALOPXOMQ-UHFFFAOYSA-N |
| MDL Number | MFCD03414708 |
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.1821 |
| SMILES | OC(CC1OC(C2=CC=CC=C2)=NN=1)=O |
| Synonyms | 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetic Acid,
131467-94-2,
AC1MO839,
ZINC396004,
AKOS004117884,
MCULE-4533157044,
NS-02133,
Z2327883873,
CID3316108,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.185g/mol |
| Monoisotopic Mass | 204.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number