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4-Hydroxy-2,6,8-trimethylquinoline

CAT: 0013-GTR19252483-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252483-01Size:200 mg
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Description
4-Hydroxy-2,6,8-trimethylquinoline
CAS Number
15644-93-6
Smiles
Cc1cc (C) c2[nH]c (C) cc (=O) c2c1
Molecular Formula
C12H13NO
Molecular Weight
187.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,6,8-Trimethylquinolin-4-ol
CAS Number15644-93-6
PubChem CID705868
IUPAC Name2,6,8-trimethyl-1H-quinolin-4-one
Molecular FormulaC12H13NO
Molecular Weight187.24
XLogP2.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity282
SMILES
CC1=CC(=C2C(=C1)C(=O)C=C(N2)C)C
InChI
InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6H,1-3H3,(H,13,14)
InChIKey
HGONRXDUFLRKDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6,8-Trimethylquinolin-4-ol
CAS: 15644-93-6
CID: 705868
Formula: C12H13NO
MW: 187.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.24
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass187.099714038
Monoisotopic Mass187.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity282
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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Alternative Products

CatalogName
OR307882-014-Hydroxy-2,6,8-trimethylquinoline
OR307887-014-Hydroxy-2,7,8-trimethylquinoline
OR937011-014,6,8-Trimethylquinoline
sc-288516A2,6,8-Trimethylquinoline
sc-2897494-Amino-2,6,8-trimethylquinoline
sc-2901484-Chloro-2,6,8-trimethylquinoline
sc-289969A4-Bromo-2,6,8-trimethylquinoline
OR791872-Chloro-4,6,8-trimethylquinoline
sc-2884442,4,8-Trimethylquinoline
sc-290330A4-Hydrazino-2,6,8-trimethylquinoline hydrochloride

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