Quinoxaline-6-carbaldehyde

CAT: 1731-AM LA 0024-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AM LA 0024-01Size:1 mg

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CAS Number

130345-50-5

MDL Number

MFCD00805834

Purity

0.95

Smiles

O=Cc1ccc2nccnc2c1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Quinoxaline-6-carboxaldehyde

CAS Number	130345-50-5
PubChem CID	763958
IUPAC Name	quinoxaline-6-carbaldehyde
Molecular Formula	C9H6N2O
Molecular Weight	158.16
XLogP	0.9
Topological Polar Surface Area	42.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

C1=CC2=NC=CN=C2C=C1C=O

InChI

InChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H

InChIKey

UGOIXUFOAODGNI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130345-50-5

CID: 763958

Formula: C9H6N2O

MW: 158.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.16
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.048012819
Monoisotopic Mass	158.048012819
Topological Polar Surface Area	42.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
AK ML 0126-01	Quinoxaline-2-carbaldehyde
AK ML 0559-01	Quinoline-6-carbaldehyde
AM LA 0027-01	Quinoxaline-6-carboxylic acid
AQ NN 0218-01	Quinoline-4-carbaldehyde
AK ML 0561-01	Quinoline-7-carbaldehyde
AK VD 0016-01	2-chloro-6-methoxyquinoline-3-carbaldehyde
GT HW 3483-01	3-fluoro-6-methylpyridine-2-carbaldehyde
GT HW 0440-01	6-methyl-1H-indole-3-carbaldehyde
AK HH 0063-01	6-chloro-4-oxochromene-3-carbaldehyde
GT HW 3486-01	5-fluoro-6-methylpyridine-2-carbaldehyde

Catalog	Name
sc-272138A	Quinoxaline-6-carbaldehyde
241460-01	Quinoxaline-6-carbaldehyde 98+% (NMR)
sc-331777	Quinoxaline-5-carbaldehyde
sc-268180	6- (Bromomethyl) quinoxaline
YAA08824	Quinoxaline-6-carbonitrile
463388-01	Quinoxaline 6-Isothiocyanate
PC405543	6- (Pentafluorosulfanyl) quinoxaline
PC109427-01	6- (Trifluoromethyl) quinoxaline
OR17708-01	Quinoxaline-6-carboxaldehyde
OR110256	Quinoxaline-6-carbohydrazide