| CAS Number | 876716-35-7 |
| Catalog Number | AG01DWRM |
| Chemical Name | 2-methyl-2-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid |
| IUPAC Name | 2-methyl-2-(tetrazol-1-yl)propanoic acid |
| InChI | InChI=1S/C5H8N4O2/c1-5(2,4(10)11)9-3-6-7-8-9/h3H,1-2H3,(H,10,11) |
| InChI Key | JEKIHOYITFILHU-UHFFFAOYSA-N |
| MDL Number | MFCD07801125 |
| Molecular Formula | C5H8N4O2 |
| Molecular Weight | 156.1426 |
| SMILES | CC(N1N=NN=C1)(C(O)=O)C |
| Synonyms | 2-methyl-2-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid,
BAS 10149717,
AC1O5H8J,
ZINC6677769,
AKOS000505646,
2-Methyl-2-tetrazol-1-yl-propionic acid,
2-methyl-2-(tetrazol-1-yl)propanoic acid,
876716-35-7,
CID6484163,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.145g/mol |
| Monoisotopic Mass | 156.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number