CAS 91301-03-0 | 1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXALDEHYDE | CAS Number 91301-03-0

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91301-03-0 | 1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXALDEHYDE

CAS No: 91301-03-0 Catalog No: AG006CLO MDL No:MFCD00563443

Product Description

Catalog Number:

AG006CLO

Chemical Name:

1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXALDEHYDE

CAS Number:

91301-03-0

Molecular Formula:

C10H7NO2

Molecular Weight:

173.1681

MDL Number:

MFCD00563443

IUPAC Name:

2-oxo-1H-quinoline-3-carbaldehyde

InChI:

InChI=1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)

InChI Key:

VWHKEYXRRNSJTN-UHFFFAOYSA-N

SMILES:

O=Cc1cc2ccccc2[nH]c1=O

Properties

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.171g/mol

Monoisotopic Mass:

173.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Biological evaluation of a novel water soluble sulphur bridged binuclear copper(II) thiosemicarbazone complex.	European journal of medicinal chemistry 20110901
Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes.	Dalton transactions (Cambridge, England : 2003) 20110507
(E)-3-Methyl-4-[(2-oxidoquinolin-1-ium-3-yl)methyl-eneamino]-1H-1,2,4-triazole-5(4H)-thione N,N-dimethyl-formamide solvate.	Acta crystallographica. Section E, Structure reports online 20091201