5-Methoxyquinoxalin-2-ol

CAT: 0127-OR1044736-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044736-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

76052-79-4

MDL Number

MFCD30066343

Purity

95%

Smiles

OC1=NC2=CC=CC(OC)=C2N=C1

Chemical Information

5-Methoxyquinoxalin-2-ol

CAS Number	76052-79-4
PubChem CID	12686393
IUPAC Name	5-methoxy-1H-quinoxalin-2-one
Molecular Formula	C9H8N2O2
Molecular Weight	176.17
XLogP	0.7
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	240

SMILES

COC1=CC=CC2=C1N=CC(=O)N2

InChI

InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-9(7)10-5-8(12)11-6/h2-5H,1H3,(H,11,12)

InChIKey

QIUSQJFYMAMRJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76052-79-4

CID: 12686393

Formula: C9H8N2O2

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.058577502
Monoisotopic Mass	176.058577502
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240
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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