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Quinoxalin-5-ol

CAT: 0127-OR903311-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR903311-01Size:250 mg
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CAS Number
17056-99-4
MDL Number
MFCD00972004
Purity
98%
Smiles
Oc1cccc2nccnc12

Chemical Information

5-Quinoxalinol
CAS Number17056-99-4
PubChem CID135690274
IUPAC Namequinoxalin-5-ol
Molecular FormulaC8H6N2O
Molecular Weight146.15
XLogP0.8
Topological Polar Surface Area46
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CC2=NC=CN=C2C(=C1)O
InChI
InChI=1S/C8H6N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h1-5,11H
InChIKey
ZUQDDQFXSNXEOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Quinoxalinol
CAS: 17056-99-4
CID: 135690274
Formula: C8H6N2O
MW: 146.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.15
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass146.048012819
Monoisotopic Mass146.048012819
Topological Polar Surface Area46 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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