| CAS Number | 1372557-29-3 |
| Catalog Number | AG01E8CZ(AGN-PC-0WOBNL) |
| Chemical Name | 2-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetic acid |
| IUPAC Name | 2-(5-oxo-1H-1,2,4-triazol-4-yl)acetic acid |
| InChI | InChI=1S/C4H5N3O3/c8-3(9)1-7-2-5-6-4(7)10/h2H,1H2,(H,6,10)(H,8,9) |
| InChI Key | OIVFVZXRMPZYJT-UHFFFAOYSA-N |
| MDL Number | MFCD24842740 |
| Molecular Formula | C4H5N3O3 |
| Molecular Weight | 143.1008 |
| SMILES | OC(CN1C(=O)NN=C1)=O |
| Synonyms | 2-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetic acid,
1372557-29-3,
ZINC95347496,
AKOS026729825,
MCULE-7791033940,
NE34950,
Z1642389904,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.102g/mol |
| Monoisotopic Mass | 143.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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Certificate of Analysis
Lot Number