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5- (hydroxymethyl) quinolin-8-ol

CAT: 0024-sc-290703Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-290703Size:100 mg
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CAS Number
4053-44-5

Chemical Information

5-(Hydroxymethyl)quinolin-8-ol
CAS Number4053-44-5
PubChem CID675786
IUPAC Name5-(hydroxymethyl)quinolin-8-ol
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP1.1
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CO
InChI
InChI=1S/C10H9NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-5,12-13H,6H2
InChIKey
ZBNACESDSSHENJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Hydroxymethyl)quinolin-8-ol
CAS: 4053-44-5
CID: 675786
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass175.063328530
Monoisotopic Mass175.063328530
Topological Polar Surface Area53.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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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OR9513685- (Hydroxymethyl) quinolin-8-ol
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