Home Carboxys 1-(propan-2-yl)-1H-1,2,3-triazole-4-carboxylic acid

1-(propan-2-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1249780-66-2
Catalog Number:
AG01AL9T
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01AL9T
Chemical Name:
1-(propan-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1249780-66-2
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD16666471
IUPAC Name:
1-propan-2-yltriazole-4-carboxylic acid
InChI:
InChI=1S/C6H9N3O2/c1-4(2)9-3-5(6(10)11)7-8-9/h3-4H,1-2H3,(H,10,11)
InChI Key:
RUKMIOZCNDLJKL-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)C(C)C
Properties
Complexity:
160  
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:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties