| CAS Number | 1038356-87-4 |
| Catalog Number | AG01A8A7(AGN-PC-0WOC3C) |
| Chemical Name | 3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid |
| IUPAC Name | 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid |
| InChI | InChI=1S/C7H7N5O3/c13-5(14)2-1-4-10-7(12-15-4)6-8-3-9-11-6/h3H,1-2H2,(H,13,14)(H,8,9,11) |
| InChI Key | DUIBXJOZTRZEFT-UHFFFAOYSA-N |
| MDL Number | MFCD11203663 |
| Molecular Formula | C7H7N5O3 |
| Molecular Weight | 209.1622 |
| SMILES | OC(CCC1ON=C(C2NC=NN=2)N=1)=O |
| Synonyms | 3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid,
1038356-87-4,
AC1Q759W,
CTK7J3120,
ZINC20593837,
AKOS008119638,
MCULE-5956422736,
NE37212,
EN300-61140,
Z1259155890,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.165g/mol |
| Monoisotopic Mass | 209.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number