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1158767-36-2 | 1H-Indazole-1,6-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS No: 1158767-36-2 Catalog No: AG000H1D MDL No:
Product Description
Catalog Number:
AG000H1D
Chemical Name:
1H-Indazole-1,6-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS Number:
1158767-36-2
Molecular Formula:
C13H13N2O4-
Molecular Weight:
261.2533
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-6-carboxylic acid
InChI:
InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)15-10-6-8(11(16)17)4-5-9(10)7-14-15/h4-7H,1-3H3,(H,16,17)
InChI Key:
WXWASFOHAZDMGJ-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccc2c(c1)n(nc2)C(=O)OC(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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