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Quinoline-2-carboxaldehyde

CAT: 0127-OR23073-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR23073-01Size:5 g
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CAS Number
5470-96-2
Synonyms
2-Formylquinoline
MDL Number
MFCD00075032
Purity
98%
Smiles
O=Cc1ccc2ccccc2n1

Chemical Information

2-Quinolinecarboxaldehyde

structure in first source

CAS Number5470-96-2
PubChem CID79619
IUPAC Namequinoline-2-carbaldehyde
Molecular FormulaC10H7NO
Molecular Weight157.17
XLogP2.1
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C=O
InChI
InChI=1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H
InChIKey
WPYJKGWLDJECQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Quinolinecarboxaldehyde
CAS: 5470-96-2
CID: 79619
Formula: C10H7NO
MW: 157.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.17
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass157.052763847
Monoisotopic Mass157.052763847
Topological Polar Surface Area30 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
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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Alternative Products

CatalogName
HY-W008168-01Quinoline-2-carboxaldehyde
sc-280057Quinoline-5-carboxaldehyde
sc-264190Quinoline-6-carboxaldehyde
sc-2886503- (2-Furoyl) quinoline-2-carboxaldehyde
sc-4816422-Chloro-6,7-difluoro-3-quinoline carboxaldehyde
sc-3039561,2-Dihydro-4-oxo-pyrrolo[3,2,1-ij]-quinoline-5-carboxaldehyde
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