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6-Hydroxyisoquinoline

CAT: 0926-FH42371-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-FH42371-01Size:0.05 kg
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CAS Number
7651-82-3
MDL Number
MFCD04114860
Smiles
C1=CC2=C (C=CN=C2) C=C1O
Controlled
No

Chemical Information

Isoquinolin-6-ol
CAS Number7651-82-3
PubChem CID135483582
IUPAC Nameisoquinolin-6-ol
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP1.9
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC2=C(C=CN=C2)C=C1O
InChI
InChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H
InChIKey
GPVPDRHTRGTSIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoquinolin-6-ol
CAS: 7651-82-3
CID: 135483582
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass145.052763847
Monoisotopic Mass145.052763847
Topological Polar Surface Area33.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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