CAS 89522-26-9 | 1H-Pyrazolo[3,4-b]quinoline, 1,3-dimethyl- | CAS Number 89522-26-9

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89522-26-9 | 1H-Pyrazolo[3,4-b]quinoline, 1,3-dimethyl-

CAS No: 89522-26-9 Catalog No: AG003ZSW MDL No:

Product Description

Catalog Number:

AG003ZSW

Chemical Name:

1H-Pyrazolo[3,4-b]quinoline, 1,3-dimethyl-

CAS Number:

89522-26-9

Molecular Formula:

C12H11N3

Molecular Weight:

197.2358

IUPAC Name:

1,3-dimethylpyrazolo[3,4-b]quinoline

InChI:

InChI=1S/C12H11N3/c1-8-10-7-9-5-3-4-6-11(9)13-12(10)15(2)14-8/h3-7H,1-2H3

InChI Key:

JZDPNYXRLMYHLU-UHFFFAOYSA-N

SMILES:

Cn1nc(c2c1nc1ccccc1c2)C

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.241g/mol

Monoisotopic Mass:

197.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Molecular dynamics modeling in quantum chemical calculations. Optical absorption spectra of 1,3-Dimethyl-1H-Pyrazolo[3,4-b]quinoline derivatives.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081001
Optical absorption of 1H-pyrazolo[3,4-b]quinoline and its derivatives.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20041101