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89522-24-7 | 1H-Pyrazolo[3,4-b]quinoline, 1-methyl-3-phenyl-
CAS No: 89522-24-7 Catalog No: AG00407V MDL No:
Product Description
Catalog Number:
AG00407V
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 1-methyl-3-phenyl-
CAS Number:
89522-24-7
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
1-methyl-3-phenylpyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C17H13N3/c1-20-17-14(11-13-9-5-6-10-15(13)18-17)16(19-20)12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
PFZNKTPNYCIWLF-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1nc1ccccc1c2)c1ccccc1
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:
3.6
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