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Quinoline-8-carboxaldehyde

CAT: 0127-OR23070Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR23070Size:250 mg
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CAS Number
38707-70-9
Synonyms
8-Formylquinoline
MDL Number
MFCD00805837
Purity
=95%
Smiles
O=Cc1cccc2cccnc12

Chemical Information

8-Quinolinecarboxaldehyde
CAS Number38707-70-9
PubChem CID170103
IUPAC Namequinoline-8-carbaldehyde
Molecular FormulaC10H7NO
Molecular Weight157.17
XLogP1.3
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
C1=CC2=C(C(=C1)C=O)N=CC=C2
InChI
InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H
InChIKey
OVZQVGZERAFSPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Quinolinecarboxaldehyde
CAS: 38707-70-9
CID: 170103
Formula: C10H7NO
MW: 157.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight157.17
XLogP31.3
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