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

3-(1H-1,2,3-triazol-1-yl)propanoic acid

CAS No.:
4332-45-0
Catalog Number:
AG019KX2
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
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Product Description
Catalog Number:
AG019KX2
Chemical Name:
3-(1H-1,2,3-triazol-1-yl)propanoic acid
CAS Number:
4332-45-0
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD08703168
IUPAC Name:
3-(triazol-1-yl)propanoic acid
InChI:
InChI=1S/C5H7N3O2/c9-5(10)1-3-8-4-2-6-7-8/h2,4H,1,3H2,(H,9,10)
InChI Key:
GEQSOLQYFBOENG-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ccnn1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties