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1200497-71-7 | 1H-Imidazo[1,2-b]pyrazole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester
CAS No: 1200497-71-7 Catalog No: AG000Q6M MDL No:
Product Description
Catalog Number:
AG000Q6M
Chemical Name:
1H-Imidazo[1,2-b]pyrazole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1200497-71-7
Molecular Formula:
C11H14N3O4-
Molecular Weight:
252.2466
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroimidazo[1,2-b]pyrazole-6-carboxylic acid
InChI:
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)13-4-5-14-8(13)6-7(12-14)9(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChI Key:
XQYNMLQBVLRLNZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c1cc(n2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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