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197355-56-9 | 3H-Pyrazolo[1,5-b][1,2,4]triazole-6-carboxylic acid, 2-methyl-
CAS No: 197355-56-9 Catalog No: AG002ARU MDL No:
Product Description
Catalog Number:
AG002ARU
Chemical Name:
3H-Pyrazolo[1,5-b][1,2,4]triazole-6-carboxylic acid, 2-methyl-
CAS Number:
197355-56-9
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
IUPAC Name:
2-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-6-carboxylic acid
InChI:
InChI=1S/C6H6N4O2/c1-3-7-5-2-4(6(11)12)9-10(5)8-3/h2,9H,1H3,(H,11,12)
InChI Key:
NCGRZICTRHTMHU-UHFFFAOYSA-N
SMILES:
Cc1nc2n([nH]1)nc(c2)C(=O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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