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

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

CAS No.:
1512226-21-9
Catalog Number:
AG01DQC0
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
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Product Description
Catalog Number:
AG01DQC0
Chemical Name:
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid
CAS Number:
1512226-21-9
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD22393880
IUPAC Name:
2-(1-methyltriazol-4-yl)acetic acid
InChI:
InChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)2-5(9)10/h3H,2H2,1H3,(H,9,10)
InChI Key:
VZUKUQDSJGWMGB-UHFFFAOYSA-N
SMILES:
Cn1cc(nn1)CC(=O)O
Properties
Complexity:
139  
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:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties