Home Carboxys diethyl-1H-1,2,3-triazole-4-carboxylic acid

diethyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1267130-92-6
Catalog Number:
AG01AKX6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
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Product Description
Catalog Number:
AG01AKX6
Chemical Name:
diethyl-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1267130-92-6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD16666507
IUPAC Name:
1,5-diethyltriazole-4-carboxylic acid
InChI:
InChI=1S/C7H11N3O2/c1-3-5-6(7(11)12)8-9-10(5)4-2/h3-4H2,1-2H3,(H,11,12)
InChI Key:
DJYNHENSHQXWEC-UHFFFAOYSA-N
SMILES:
CCc1n(CC)nnc1C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties