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4-Methylquinolin-6-ol

CAT: 0127-OR1040896-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1040896-01Size:100 mg
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CAS Number
5429-01-6
MDL Number
MFCD18414798
Purity
98%
Smiles
OC1=CC=C2N=CC=C(C)C2=C1

Chemical Information

4-Methylquinolin-6-ol
CAS Number5429-01-6
PubChem CID224664
IUPAC Name4-methylquinolin-6-ol
Molecular FormulaC10H9NO
Molecular Weight159.18
XLogP2.3
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1=C2C=C(C=CC2=NC=C1)O
InChI
InChI=1S/C10H9NO/c1-7-4-5-11-10-3-2-8(12)6-9(7)10/h2-6,12H,1H3
InChIKey
YSCLQXFVKXKSMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylquinolin-6-ol
CAS: 5429-01-6
CID: 224664
Formula: C10H9NO
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass159.068413911
Monoisotopic Mass159.068413911
Topological Polar Surface Area33.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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