Home Other Building Blocks 4-(1H-1,2,3-triazol-1-yl)butanoic acid

4-(1H-1,2,3-triazol-1-yl)butanoic acid

CAS No.:
1369016-84-1
Catalog Number:
AG01A413
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01A413
Chemical Name:
4-(1H-1,2,3-triazol-1-yl)butanoic acid
CAS Number:
1369016-84-1
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD21997125
IUPAC Name:
4-(triazol-1-yl)butanoic acid
InChI:
InChI=1S/C6H9N3O2/c10-6(11)2-1-4-9-5-3-7-8-9/h3,5H,1-2,4H2,(H,10,11)
InChI Key:
WFDZPCVPOXGSBW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1nncc1
Properties
Complexity:
140  
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:
4  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties