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2-Hydroxy-3-methylquinoxaline

CAT: 0127-OR300638-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR300638-01Size:5 g
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CAS Number
14003-34-0
MDL Number
MFCD00006724
Purity
98%
Smiles
Cc1nc2ccccc2nc1O

Chemical Information

3-Methylquinoxalin-2-ol

3-methyl-2-quinoxalinol is a quinoxaline derivative.

CAS Number14003-34-0
PubChem CID26384
IUPAC Name3-methyl-1H-quinoxalin-2-one
Molecular FormulaC9H8N2O
Molecular Weight160.17
XLogP0.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity235
SMILES
CC1=NC2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)
InChIKey
BMIMNRPAEPIYDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylquinoxalin-2-ol
CAS: 14003-34-0
CID: 26384
Formula: C9H8N2O
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass160.063662883
Monoisotopic Mass160.063662883
Topological Polar Surface Area41.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity235
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

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