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2-Quinoxalinol

CAT: 0024-sc-225545Size: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225545Size:100 g
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CAS Number
1196-57-2

Chemical Information

2(1H)-Quinoxalinone

Quinoxalin-2-ol is a hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2. It has a role as a metabolite. It derives from a hydride of a quinoxaline.

CAS Number1196-57-2
PubChem CID14526
IUPAC Name1H-quinoxalin-2-one
Molecular FormulaC8H6N2O
Molecular Weight146.15
XLogP0.8
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity200
SMILES
C1=CC=C2C(=C1)NC(=O)C=N2
InChI
InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKey
FFRYUAVNPBUEIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(1H)-Quinoxalinone
CAS: 1196-57-2
CID: 14526
Formula: C8H6N2O
MW: 146.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.15
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass146.048012819
Monoisotopic Mass146.048012819
Topological Polar Surface Area41.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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sc-280059Quinoxaline-2-thiol
sc-3095653- (2-Quinoxalinyl) aniline
sc-309565A3- (2-Quinoxalinyl) aniline
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