| CAS Number | 944906-32-5 |
| Catalog Number | AG00IIAC(AGN-PC-03CCHX) |
| Chemical Name | 3-Methyl-1,2,4-oxadiazole-5-carboxylic acid sodium salt |
| IUPAC Name | 3-methyl-1,2,4-oxadiazole-5-carboxylic acid |
| InChI | InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)9-6-2/h1H3,(H,7,8) |
| InChI Key | NNNNJRNVSNNCGK-UHFFFAOYSA-N |
| MDL Number | MFCD10000816 |
| Molecular Formula | C4H4N2O3 |
| Molecular Weight | 128.0862 |
| SMILES | CC1N=C(C(O)=O)ON=1 |
| Synonyms | 3-methyl-1,2,4-oxadiazole-5-carboxylic acid,
944906-32-5,
CHEMBL247339,
SCHEMBL1326724,
DTXSID20615539,
NNNNJRNVSNNCGK-UHFFFAOYSA-N,
MFCD10000816,
ZINC28948638,
AKOS006303081,
AB55970,
AJ-83597,
SC-14655,
SY026690,
CS-0035782,
3-Methyl-1,2,4-oxadiazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.087g/mol |
| Monoisotopic Mass | 128.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number