| CAS Number | 1342289-56-8 |
| Catalog Number | AG01B1SL |
| Chemical Name | 3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-ol |
| IUPAC Name | 3-(4-hydroxyphenyl)-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-8(12)13-10-7/h1-4,11H,(H,9,10,12) |
| InChI Key | KRZHKSQIFXCQNS-UHFFFAOYSA-N |
| MDL Number | MFCD18872638 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | OC1ON=C(C2=CC=C(O)C=C2)N=1 |
| Synonyms | 3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-ol,
1342289-56-8,
SCHEMBL2646013,
ZINC82563933,
AKOS013061001,
AKOS024058257,
MCULE-2497327794,
NE23518,
Z1824511487,
3-(4-hydroxyphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.147g/mol |
| Monoisotopic Mass | 178.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number