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8-Methoxyquinolin-3-ol

CAT: 0926-PIA34909-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PIA34909-01Size:50 mg
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CAS Number
214349-09-4
MDL Number
MFCD18414682
Smiles
COC1=CC=CC2=CC (=CN=C21) O
Molecular Formula
C10H9NO2
Molecular Weight
175.18 g/mol
Controlled
No

Chemical Information

3-Quinolinol, 8-methoxy-
CAS Number214349-09-4
PubChem CID11084389
IUPAC Name8-methoxyquinolin-3-ol
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP1.5
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
COC1=CC=CC2=CC(=CN=C21)O
InChI
InChI=1S/C10H9NO2/c1-13-9-4-2-3-7-5-8(12)6-11-10(7)9/h2-6,12H,1H3
InChIKey
BGNLQKXYTGDJRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Quinolinol, 8-methoxy-
CAS: 214349-09-4
CID: 11084389
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 Area42.4 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