Quindoxin

CAT: 0127-OR1026487-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026487-01Size:100 mg

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CAS Number

2423-66-7

Synonyms

4-oxidoquinoxalin-1-ium 1-oxide

Purity

98%

Smiles

C1=CC=C2C(=C1)N(C=C[N+]2=O)[O-]

Chemical Information

Quindoxin

Quindoxin is a quinoxaline derivative.

CAS Number	2423-66-7
PubChem CID	72073
IUPAC Name	4-oxidoquinoxalin-1-ium 1-oxide
Molecular Formula	C8H6N2O2
Molecular Weight	162.15
XLogP	-0.1
Topological Polar Surface Area	46.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	206

SMILES

C1=CC=C2C(=C1)N(C=C[N+]2=O)[O-]

InChI

InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

InChIKey

CKIHZSGJPSDCNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2423-66-7

CID: 72073

Formula: C8H6N2O2

MW: 162.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.15
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	162.042927438
Monoisotopic Mass	162.042927438
Topological Polar Surface Area	46.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	206
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
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OR94221-01	Quinolin-3-ylmethanol
OR959827-01	Quinolin-8-ylmethanol
OR80342-01	Quinolin-2-ol
OR1072101-01	Quinolin-3-ylmethanamine
OR95060-01	Quinolin-3-ylmethanamine dihydrochloride
OR1066587-01	Quinolin-8-yl acrylate
OR87310-01	Quinolin-7-ylmethanamine dihydrochloride
OR15296	(Quinolin-8-yl) thiourea
OR1044638-01	1-Quinolin-5-ylethanone

Catalog	Name
HY-24366	Quindoxin