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2- (Quinolin-2-yl) malonaldehyde

CAT: 0127-OR2245-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
40070-84-6
Synonyms
(Quinolin-2-yl) propane-1,3-dial
MDL Number
MFCD01569245
Purity
95%
Smiles
O=CC(C=O)c1ccc2ccccc2n1

Chemical Information

2-(2-Quinolyl)malondialdehyde
CAS Number40070-84-6
PubChem CID2737259
IUPAC Name2-quinolin-2-ylpropanedial
Molecular FormulaC12H9NO2
Molecular Weight199.20
XLogP1.4
Topological Polar Surface Area47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity234
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(C=O)C=O
InChI
InChI=1S/C12H9NO2/c14-7-10(8-15)12-6-5-9-3-1-2-4-11(9)13-12/h1-8,10H
InChIKey
BGCDOBZPKOBWHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Quinolyl)malondialdehyde
CAS: 40070-84-6
CID: 2737259
Formula: C12H9NO2
MW: 199.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.20
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.063328530
Monoisotopic Mass199.063328530
Topological Polar Surface Area47 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-2657022-Formyl-malonaldehyde
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