4-(1H-1,2,4-triazol-1-yl)butanoic acid hydrochloride - CAS 1255718-20-7
Catalog: |
BB006142 |
Product Name: |
4-(1H-1,2,4-triazol-1-yl)butanoic acid hydrochloride |
CAS: |
1255718-20-7 |
Synonyms: |
4-(1,2,4-triazol-1-yl)butanoic acid;hydrochloride; 4-(1,2,4-triazol-1-yl)butanoic acid;hydrochloride |
IUPAC Name: | 4-(1,2,4-triazol-1-yl)butanoic acid;hydrochloride |
Description: | 4-(1H-1,2,4-triazol-1-yl)butanoic acid hydrochloride (CAS# 1255718-20-7) is a useful research chemical. |
Molecular Weight: | 191.615 |
Molecular Formula: | C6H10ClN3O2 |
Canonical SMILES: | C1=NN(C=N1)CCCC(=O)O.Cl |
InChI: | InChI=1S/C6H9N3O2.ClH/c10-6(11)2-1-3-9-5-7-4-8-9;/h4-5H,1-3H2,(H,10,11);1H |
InChI Key: | UHLFJHYFXFEWJW-UHFFFAOYSA-N |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0461543 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0461543 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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