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6,7-Dimethyl-4-hydroxyquinoline

CAT: 0127-OR307996Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR307996Size:1 g
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CAS Number
185437-33-6
MDL Number
MFCD00272457
Purity
=95%
Smiles
Cc1cc2nccc(O)c2cc1C

Chemical Information

6,7-Dimethylquinolin-4(1H)-one
CAS Number185437-33-6
PubChem CID17039965
IUPAC Name6,7-dimethyl-1H-quinolin-4-one
Molecular FormulaC11H11NO
Molecular Weight173.21
XLogP1.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity246
SMILES
CC1=CC2=C(C=C1C)NC=CC2=O
InChI
InChI=1S/C11H11NO/c1-7-5-9-10(6-8(7)2)12-4-3-11(9)13/h3-6H,1-2H3,(H,12,13)
InChIKey
IRWJBEDRUKAGBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dimethylquinolin-4(1H)-one
CAS: 185437-33-6
CID: 17039965
Formula: C11H11NO
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP31.3
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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