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2,7-Dimethylquinolin-4-ol

CAT: 0926-QAA64484-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA64484-01Size:50 mg
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CAS Number
15644-84-5
MDL Number
MFCD01578283
Smiles
CC1=CC2=C (C=C1) C (=O) C=C (N2) C
Molecular Formula
C11H11NO
Molecular Weight
173.21 g/mol
Controlled
No

Chemical Information

2,7-Dimethylquinolin-4-OL
CAS Number15644-84-5
PubChem CID5235212
IUPAC Name2,7-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
Complexity257
SMILES
CC1=CC2=C(C=C1)C(=O)C=C(N2)C
InChI
InChI=1S/C11H11NO/c1-7-3-4-9-10(5-7)12-8(2)6-11(9)13/h3-6H,1-2H3,(H,12,13)
InChIKey
PHJAVNZUFBCHEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Dimethylquinolin-4-OL
CAS: 15644-84-5
CID: 5235212
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
Complexity257
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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