| CAS Number | 1820718-31-7 |
| Catalog Number | AG00I12D |
| Chemical Name | 3-Methyl-5-(3-methylphenyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H10N2O/c1-7-4-3-5-9(6-7)10-11-8(2)12-13-10/h3-6H,1-2H3 |
| InChI Key | XAYNFRRQKNFQNX-UHFFFAOYSA-N |
| MDL Number | MFCD28369605 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | Cc1cccc(c1)c1onc(n1)C |
| Synonyms | 1820718-31-7,
3-Methyl-5-(m-tolyl)-1,2,4-oxadiazole,
3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole,
SCHEMBL12494,
AKOS027350556,
ZINC112940517,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number