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124080-67-7 | 1H-Pyrazolo[3,4-b]quinoline, 8-methyl-1-phenyl-
CAS No: 124080-67-7 Catalog No: AG000LK7 MDL No:
Product Description
Catalog Number:
AG000LK7
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 8-methyl-1-phenyl-
CAS Number:
124080-67-7
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
8-methyl-1-phenylpyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C17H13N3/c1-12-6-5-7-13-10-14-11-18-20(17(14)19-16(12)13)15-8-3-2-4-9-15/h2-11H,1H3
InChI Key:
CYASQLLUOLFKIA-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc1c(c2)cnn1c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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