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894-88-2 | 1H-Pyrazolo[3,4-b]quinoline, 3-methyl-1-phenyl-
CAS No: 894-88-2 Catalog No: AG0041J3 MDL No:
Product Description
Catalog Number:
AG0041J3
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 3-methyl-1-phenyl-
CAS Number:
894-88-2
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
3-methyl-1-phenylpyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C17H13N3/c1-12-15-11-13-7-5-6-10-16(13)18-17(15)20(19-12)14-8-3-2-4-9-14/h2-11H,1H3
InChI Key:
VXXHCSZPRKRCKI-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1cc1ccccc1n2)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:
4.2
Literature
| Title | Journal |
|---|---|
| Photoluminescence of 1-phenyl,3-methyl pyrazoloquinoline derivatives. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090401 |
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