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5,8-Dimethyl-4-hydroxyquinoline

CAT: 0127-OR307844-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR307844-01Size:1 g
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CAS Number
203626-57-7
MDL Number
MFCD00272456
Purity
=95%
Smiles
Cc1ccc(C)c2c(O)ccnc12

Chemical Information

5,8-Dimethyl-4-quinolinol
CAS Number203626-57-7
PubChem CID2728253
IUPAC Name5,8-dimethyl-1H-quinolin-4-one
Molecular FormulaC11H11NO
Molecular Weight173.21
XLogP2.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity246
SMILES
CC1=C2C(=O)C=CNC2=C(C=C1)C
InChI
InChI=1S/C11H11NO/c1-7-3-4-8(2)11-10(7)9(13)5-6-12-11/h3-6H,1-2H3,(H,12,13)
InChIKey
JLOYAQFVPXIJKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,8-Dimethyl-4-quinolinol
CAS: 203626-57-7
CID: 2728253
Formula: C11H11NO
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass173.084063974
Monoisotopic Mass173.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity246
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

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DHA98437-017,8-Dimethyl-4-hydroxyquinoline
sc-2910565,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
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sc-2910575,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester
DCA16436-017,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
sc-2914816,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
BA8294-2505-Amino-8-hydroxyquinoline
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