Quinoline-6-carboxaldehyde

CAT: 0024-sc-264190ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264190ASize:1 g

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CAS Number

4113-04-6

Chemical Information

6-Quinolinecarbaldehyde

CAS Number	4113-04-6
PubChem CID	765653
IUPAC Name	quinoline-6-carbaldehyde
Molecular Formula	C10H7NO
Molecular Weight	157.17
XLogP	1.6
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

C1=CC2=C(C=CC(=C2)C=O)N=C1

InChI

InChI=1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H

InChIKey

VUAOIXANWIFYCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4113-04-6

CID: 765653

Formula: C10H7NO

MW: 157.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.17
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	157.052763847
Monoisotopic Mass	157.052763847
Topological Polar Surface Area	30 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-280057	Quinoline-5-carboxaldehyde
sc-481642	2-Chloro-6,7-difluoro-3-quinoline carboxaldehyde
sc-288650	3- (2-Furoyl) quinoline-2-carboxaldehyde
sc-252292	6-Chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxaldehyde
sc-285304	Coumarin-6-carboxaldehyde
sc-218599	Indole-6-carboxaldehyde
sc-285304A	Coumarin-6-carboxaldehyde
sc-296179	Quinoline-6-carbohydrazide
sc-299939	6- (Trifluoromethoxy) quinoline
sc-299939A	6- (Trifluoromethoxy) quinoline

Catalog	Name
OR6184	Quinoline-6-carboxaldehyde
OR23077-01	Quinoline-4-carboxaldehyde
OR70131-01	Quinoline-5-carboxaldehyde
OR23070	Quinoline-8-carboxaldehyde
HY-W008168-01	Quinoline-2-carboxaldehyde
OR30994-01	Quinoline-3-carboxaldehyde
OR27366	2- (methylthio) quinoline-3-carboxaldehyde
OR346531-01	2-Iodo-quinoline-3-carboxaldehyde
OR14255-01	2- (Dimethylamino) quinoline-3-carboxaldehyde
PC107817	6-Fluoro-3,4-dihydro-2H-quinoline-1-carboxaldehyde