Home Other Building Blocks 2-(1H-1,2,4-triazol-1-yl)butanoic acid

2-(1H-1,2,4-triazol-1-yl)butanoic acid

CAS No.:
1157990-31-2
Catalog Number:
AG01BK75
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01BK75
Chemical Name:
2-(1H-1,2,4-triazol-1-yl)butanoic acid
CAS Number:
1157990-31-2
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD12067259
IUPAC Name:
2-(1,2,4-triazol-1-yl)butanoic acid
InChI:
InChI=1S/C6H9N3O2/c1-2-5(6(10)11)9-4-7-3-8-9/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
LAYDUKJXMMUPBE-UHFFFAOYSA-N
SMILES:
CCC(n1cncn1)C(=O)O
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties