4-Methoxypyridine N-oxide

CAT: 0024-sc-267617Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-267617Size:1 g

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CAS Number

1122-96-9

Chemical Information

4-Methoxypyridine N-oxide

CAS Number	1122-96-9
PubChem CID	70743
IUPAC Name	4-methoxy-1-oxidopyridin-1-ium
Molecular Formula	C6H7NO2
Molecular Weight	125.13
XLogP	-0.7
Topological Polar Surface Area	34.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	79

SMILES

COC1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3

InChIKey

BOFAIBPJCWFJFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1122-96-9

CID: 70743

Formula: C6H7NO2

MW: 125.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.13
XLogP3	-0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.047678466
Monoisotopic Mass	125.047678466
Topological Polar Surface Area	34.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	79.1
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-256793	4-Methoxypyridine
sc-306988	2-Bromo-3-methoxypyridine 1-oxide
sc-226778	4-Phenylpyridine N-oxide
sc-206851	4-Bromopyridine N-Oxide
sc-252180	4-Methylmorpholine N-oxide
sc-226603	4-Chloropyridine N-oxide
sc-226765	4-Nitropyridine N-oxide
sc-232979	4-Pyridinecarboxaldehyde N-oxide
sc-470874	4-Aminopyridine N-Oxide
sc-256815A	4-Nitroquinoline N-oxide

Catalog	Name
233326-01	4-Methoxypyridine N-oxide
016418	4-Methoxypyridine N-Oxide Hydrate
M09530-01	4-Methoxypyridine-N-oxide hydrate 97%
LDA60480-01	N-Oxide-2,3,5-trimethyl-4-methoxypyridine
KBA39266-01	2-Methyl-5-methoxypyridine-N-oxide
OR1099878	3-Bromo-5-methoxypyridine N-oxide
OR346661	2-Ethyl-4-methoxypyridine 1-oxide
OR95970-01	3,5-Dibromo-4-methoxypyridine 1-oxide
OR1003507-01	Methyl 4-Methoxypyridine-2-carboxylate 1-oxide
416080-01	2-Bromo-5-methoxypyridine 1-oxide