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1799434-56-2 | 2H-Indazole-6-carboxylic acid, 2-(1,1-dimethylethyl)-3-methyl-
CAS No: 1799434-56-2 Catalog No: AG0021IM MDL No:
Product Description
Catalog Number:
AG0021IM
Chemical Name:
2H-Indazole-6-carboxylic acid, 2-(1,1-dimethylethyl)-3-methyl-
CAS Number:
1799434-56-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-tert-butyl-3-methylindazole-6-carboxylic acid
InChI:
InChI=1S/C13H16N2O2/c1-8-10-6-5-9(12(16)17)7-11(10)14-15(8)13(2,3)4/h5-7H,1-4H3,(H,16,17)
InChI Key:
GACXVVKHDZMILT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nn(c2C)C(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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