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145769-54-6

145769-54-6 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-nitro-

CAS No: 145769-54-6 Catalog No: AG001DDN MDL No:

Product Description

Catalog Number:
AG001DDN
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-nitro-
CAS Number:
145769-54-6
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
IUPAC Name:
5-nitro-2H-triazole-4-carboxylic acid
InChI:
InChI=1S/C3H2N4O4/c8-3(9)1-2(7(10)11)5-6-4-1/h(H,8,9)(H,4,5,6)
InChI Key:
KUSAQLMAEMVDRO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nnc1C(=O)O
NSC Number:
127462

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.008g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.073g/mol
Monoisotopic Mass:
158.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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