Home Carboxys 2-ethyl-5-methyl-2H-1,2,3-triazole-4-carboxylic acid

2-ethyl-5-methyl-2H-1,2,3-triazole-4-carboxylic acid

CAS No.:
871892-44-3
Catalog Number:
AG01BBYI
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01BBYI
Chemical Name:
2-ethyl-5-methyl-2H-1,2,3-triazole-4-carboxylic acid
CAS Number:
871892-44-3
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD20640583
IUPAC Name:
2-ethyl-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C6H9N3O2/c1-3-9-7-4(2)5(8-9)6(10)11/h3H2,1-2H3,(H,10,11)
InChI Key:
SZHPLTRAPHLPQM-UHFFFAOYSA-N
SMILES:
CCn1nc(c(n1)C(=O)O)C
Properties
Complexity:
162  
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:
0.8  
Properties