| CAS Number | 1432681-43-0 |
| Catalog Number | AG01A4IP(AGN-PC-0WO7NL) |
| Chemical Name | 2-(5-tert-butyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid |
| IUPAC Name | 2-(5-tert-butyltetrazol-1-yl)propanoic acid |
| InChI | InChI=1S/C8H14N4O2/c1-5(6(13)14)12-7(8(2,3)4)9-10-11-12/h5H,1-4H3,(H,13,14) |
| InChI Key | LPCRNNCUHGCOQM-UHFFFAOYSA-N |
| MDL Number | MFCD21676513 |
| Molecular Formula | C8H14N4O2 |
| Molecular Weight | 198.2224 |
| SMILES | CC(N1C(C(C)(C)C)=NN=N1)C(O)=O |
| Synonyms | 2-(5-tert-butyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid,
1432681-43-0,
AKOS015383050,
NE29659,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.226g/mol |
| Monoisotopic Mass | 198.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number