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2-Methoxyquinolin-3-ol

CAT: 0127-OR957579-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR957579-01Size:100 mg
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CAS Number
172605-00-4
MDL Number
MFCD18414678
Purity
95%
Smiles
COc1nc2ccccc2cc1O

Chemical Information

2-Methoxyquinolin-3-ol
CAS Number172605-00-4
PubChem CID15187157
IUPAC Name2-methoxyquinolin-3-ol
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP2.1
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
COC1=NC2=CC=CC=C2C=C1O
InChI
InChI=1S/C10H9NO2/c1-13-10-9(12)6-7-4-2-3-5-8(7)11-10/h2-6,12H,1H3
InChIKey
QXDRMJDYUSTKQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyquinolin-3-ol
CAS: 172605-00-4
CID: 15187157
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP32.1
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