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2-(quinolin-8-yl)acetaldehyde

2-(quinolin-8-yl)acetaldehyde

CAS: 191228-36-1

Formula: C11H9NO

SMILES: O=CCC1=CC=CC2=CC=CN=C12

IUPAC: 2-(quinolin-8-yl)acetaldehyde

InChI: InChI=1S/C11H9NO/c13-8-6-10-4-1-3-9-5-2-7-12-11(9)10/h1-5,7-8H,6H2

Composition: C (77.17%), H (5.30%), N (8.18%), O (9.35%)

Molar Mass: 171.199

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 171.068413914
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KMQUEYCXLBJMET-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.36
Topological Polar Surface Area 29.96
Polarizability 20.75
Ring Count 2
Rotatable Bond Count 2

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