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Home > Quinoline > 805325-38-6
805325-38-6 | 1H-Pyrazolo[3,4-b]quinoline, 3a,9a-dihydro-3-methyl-1-phenyl-
CAS No: 805325-38-6 Catalog No: AG005KMW MDL No:
Product Description
Catalog Number:
AG005KMW
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 3a,9a-dihydro-3-methyl-1-phenyl-
CAS Number:
805325-38-6
Molecular Formula:
C17H15N3
Molecular Weight:
261.3211
IUPAC Name:
3-methyl-1-phenyl-3a,9a-dihydropyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C17H15N3/c1-12-15-11-13-7-5-6-10-16(13)18-17(15)20(19-12)14-8-3-2-4-9-14/h2-11,15,17H,1H3
InChI Key:
PWADOWTYLCDWNJ-UHFFFAOYSA-N
SMILES:
CC1=NN(C2C1C=c1ccccc1=N2)c1ccccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.328g/mol
Monoisotopic Mass:
261.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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