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2,8-Quinolinediol

CAT: 0127-BUP14000-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14000-01Size:100 mg
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CAS Number
15450-76-7
Purity
=98%
Smiles
OC1=C2NC(=O)C=CC2=CC=C1

Chemical Information

8-hydroxyquinolin-2(1H)-one

Quinoline-2,8-diol is a dihydroxyquinoline. It is a tautomer of an 8-hydroxyquinolin-2(1H)-one.

CAS Number15450-76-7
PubChem CID97250
IUPAC Name8-hydroxy-1H-quinolin-2-one
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity225
SMILES
C1=CC2=C(C(=C1)O)NC(=O)C=C2
InChI
InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
InChIKey
ZXZKYYHTWHJHFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-hydroxyquinolin-2(1H)-one
CAS: 15450-76-7
CID: 97250
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity225
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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