| CAS Number | 26925-60-0 |
| Catalog Number | AG01A8IJ(AGN-PC-00K4IL) |
| Chemical Name | 3-(2-Methylphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one |
| IUPAC Name | 3-(2-methylphenyl)-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C9H8N2O2/c1-6-4-2-3-5-7(6)8-10-9(12)13-11-8/h2-5H,1H3,(H,10,11,12) |
| InChI Key | WOYMSODURNSSRP-UHFFFAOYSA-N |
| MDL Number | MFCD12815749 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | CC1=C(C2NC(=O)ON=2)C=CC=C1 |
| Synonyms | 3-(2-methylphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one,
26925-60-0,
AC1Q2EQA,
SCHEMBL10104417,
ZINC37926750,
AKOS010212111,
NE43134,
5-hydroxy-3-(2-tolyl)-1,2,4-oxadiazole,
EN300-61705,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number