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142598-50-3 | 1H-Pyrazolo[3,4-c]quinoline-1,4(2H)-dione, 3,5-dihydro-2-methyl-
CAS No: 142598-50-3 Catalog No: AG007KZ4 MDL No:
Product Description
Catalog Number:
AG007KZ4
Chemical Name:
1H-Pyrazolo[3,4-c]quinoline-1,4(2H)-dione, 3,5-dihydro-2-methyl-
CAS Number:
142598-50-3
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
2-methyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione
InChI:
InChI=1S/C11H9N3O2/c1-14-11(16)8-6-4-2-3-5-7(6)12-10(15)9(8)13-14/h2-5,13H,1H3,(H,12,15)
InChI Key:
BQXMBIQTJCISHQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c2c1[nH]n(c2=O)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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