| CAS Number | 1965305-07-0 |
| Catalog Number | AG01F9D6(AGN-PC-3H49C5) |
| Chemical Name | 3-(3,4-Diacetoxyphenyl)-5-methyl-1,2,4-oxadiazole |
| IUPAC Name | [2-acetyloxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate |
| InChI | InChI=1S/C13H12N2O5/c1-7-14-13(15-20-7)10-4-5-11(18-8(2)16)12(6-10)19-9(3)17/h4-6H,1-3H3 |
| InChI Key | UMOSMADANPQWQK-UHFFFAOYSA-N |
| MDL Number | MFCD28166233 |
| Molecular Formula | C13H12N2O5 |
| Molecular Weight | 276.2448 |
| SMILES | CC(=O)Oc1cc(ccc1OC(=O)C)c1noc(n1)C |
| Synonyms | 3-(3,4-Diacetoxyphenyl)-5-methyl-1,2,4-oxadiazole,
1965305-07-0,
ZINC219040271,
3-(3,4-Diacetoxyphenyl)-5-methyl-1,2,4-oxadiazole, AldrichCPR,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.248g/mol |
| Monoisotopic Mass | 276.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number