Acipimox Impurity 2

CAT: 1596-AR-A05477-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05477-06Size:250 Units

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CAS Number

32046-26-7

Synonyms

2-methylpyrazine 1,4-dioxide

Molecular Formula

C5H6N2O2

Molecular Weight

126.12

API Name

Acipimox

Chemical Information

2-Methylpyrazine 1,4-dioxide

CAS Number	32046-26-7
PubChem CID	573394
IUPAC Name	3-methyl-4-oxidopyrazin-1-ium 1-oxide
Molecular Formula	C5H6N2O2
Molecular Weight	126.11
XLogP	-1.2
Topological Polar Surface Area	46.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	195

SMILES

CC1=C[N+](=O)C=CN1[O-]

InChI

InChI=1S/C5H6N2O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey

RHFQJCLHUCUJEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32046-26-7

CID: 573394

Formula: C5H6N2O2

MW: 126.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.11
XLogP3	-1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.042927438
Monoisotopic Mass	126.042927438
Topological Polar Surface Area	46.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	195
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
AR-A05479-01	Acipimox Impurity 4
AR-A05476-01	Acipimox Impurity 1
AR-A05473-01	Acipimox Impurity 6
AR-A05478-01	Acipimox Impurity 3
AR-A05474-01	Acipimox Impurity 7
AR-A05472-01	Acipimox Impurity 5
AR-A05475-01	Acipimox
AR-A05471-01	Acipimox-d4
AR-N01598-01	Nintedanib Impurity 2 (Intedanib Impurity 2)
AR-D02359-01	Doxofylline Impurity 2 (Theophylline Impurity 2)