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5-Methoxyquinolin-4-ol

CAT: 0127-OR302292Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR302292Size:1 Each
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CAS Number
1466525-83-6
MDL Number
MFCD08063200
Purity
=95%
Smiles
COc1cccc2nccc(O)c12

Chemical Information

5-Methoxyquinolin-4-ol
CAS Number1466525-83-6
PubChem CID23595324
IUPAC Name5-methoxy-1H-quinolin-4-one
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP1.5
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity237
SMILES
COC1=CC=CC2=C1C(=O)C=CN2
InChI
InChI=1S/C10H9NO2/c1-13-9-4-2-3-7-10(9)8(12)5-6-11-7/h2-6H,1H3,(H,11,12)
InChIKey
ZXGXDLPJGJQNFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxyquinolin-4-ol
CAS: 1466525-83-6
CID: 23595324
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass175.063328530
Monoisotopic Mass175.063328530
Topological Polar Surface Area38.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity237
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