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

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

CAS No.:
28819-28-5
Catalog Number:
AG01B6N1
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01B6N1
Chemical Name:
3-(1-methyl-1H-1,2,3-triazol-4-yl)propanoic acid
CAS Number:
28819-28-5
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD20640739
IUPAC Name:
3-(1-methyltriazol-4-yl)propanoic acid
InChI:
InChI=1S/C6H9N3O2/c1-9-4-5(7-8-9)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
TWNQWBBLAMCLMM-UHFFFAOYSA-N
SMILES:
Cn1cc(nn1)CCC(=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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties