| CAS Number | 1010421-51-8 |
| Catalog Number | AG01DUWR |
| Chemical Name | 2-(5-cyclopropyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid |
| IUPAC Name | 2-(5-cyclopropyltetrazol-2-yl)acetic acid |
| InChI | InChI=1S/C6H8N4O2/c11-5(12)3-10-8-6(7-9-10)4-1-2-4/h4H,1-3H2,(H,11,12) |
| InChI Key | YDMSSGUAMXYSSA-UHFFFAOYSA-N |
| MDL Number | MFCD20660094 |
| Molecular Formula | C6H8N4O2 |
| Molecular Weight | 168.1533 |
| SMILES | OC(CN1N=C(C2CC2)N=N1)=O |
| Synonyms | AKOS033913998,
2-(5-CYCLOPROPYL-2H-1,2,3,4-TETRAZOL-2-YL)ACETIC ACID,
1010421-51-8,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.156g/mol |
| Monoisotopic Mass | 168.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number