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8-Hydroxyquinoline caprylate hydrochloride

CAT: 0926-FH172369-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-FH172369-01Size:0.1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35487-04-8
Smiles
Cl.O=C (OC=1C=CC=C2C=CC=NC12) CCCCCCC
Molecular Formula
C17H21NO2•HCl
Molecular Weight
307.82 g/mol
Controlled
No

Chemical Information

8-Hydroxyquinoline caprylate hydrochloride
CAS Number35487-04-8
PubChem CID172641480
IUPAC Namequinolin-8-yl octanoate;hydrochloride
Molecular FormulaC17H22ClNO2
Molecular Weight307.8
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity293
SMILES
CCCCCCCC(=O)OC1=CC=CC2=C1N=CC=C2.Cl
InChI
InChI=1S/C17H21NO2.ClH/c1-2-3-4-5-6-12-16(19)20-15-11-7-9-14-10-8-13-18-17(14)15;/h7-11,13H,2-6,12H2,1H3;1H
InChIKey
LWEOKZPTHKICQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyquinoline caprylate hydrochloride
CAS: 35487-04-8
CID: 172641480
Formula: C17H22ClNO2
MW: 307.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight307.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass307.1339066
Monoisotopic Mass307.1339066
Topological Polar Surface Area39.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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