| Catalog Number | ACM872701047 |
| CAS | 872701-04-7 |
| IUPAC Name | 4-(2H-triazol-4-yl)butanoic acid |
| Synonyms | 4-(1H-1,2,3-Triazol-4-yl)butanoic acid;872701-04-7;1H-1,2,3-Triazole-4-butanoic acid;SCHEMBL14331;ZINC9460565;4-(2H-triazol-4-yl)butanoic acid;MFCD20657244;AKOS026730178;MCULE-8015678285;NE45229;DB-116124;Z1763036410 |
| Molecular Weight | 155.15g/mol |
| Molecular Formula | C6H9N3O2 |
| Canonical SMILES | C1=NNN=C1CCCC(=O)O |
| InChI | InChI=1S/C6H9N3O2/c10-6(11)3-1-2-5-4-7-9-8-5/h4H,1-3H2,(H,10,11)(H,7,8,9) |
| InChI Key | JJYUJRZNPOGWAM-UHFFFAOYSA-N |
| Complexity | 140 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 155.069476538g/mol |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 155.069476538g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.9Ų |
| X Log P3 | -0.3 |