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106835-36-3 | 1H-Pyrazolo[3,4-b]quinoline, 6,7-dimethoxy-3-methyl-
CAS No: 106835-36-3 Catalog No: AG008303 MDL No:
Product Description
Catalog Number:
AG008303
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 6,7-dimethoxy-3-methyl-
CAS Number:
106835-36-3
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
6,7-dimethoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C13H13N3O2/c1-7-9-4-8-5-11(17-2)12(18-3)6-10(8)14-13(9)16-15-7/h4-6H,1-3H3,(H,14,15,16)
InChI Key:
OAQLEMUZMYTMGV-UHFFFAOYSA-N
SMILES:
COc1cc2cc3c(C)n[nH]c3nc2cc1OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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