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6,8-dimethyl-2-phenylquinoline-4-carboxylic acid

6,8-dimethyl-2-phenylquinoline-4-carboxylic acid

CAS: 337496-05-6

Formula: C18H15NO2

SMILES: CC1=CC2=C(C=C(N=C2C(C)=C1)C1=CC=CC=C1)C(O)=O

IUPAC: 6,8-dimethyl-2-phenylquinoline-4-carboxylic acid

InChI: InChI=1S/C18H15NO2/c1-11-8-12(2)17-14(9-11)15(18(20)21)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)

Composition: C (77.96%), H (5.45%), N (5.05%), O (11.54%)

Molar Mass: 277.323

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 277.110278727
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VSTKTJKCVFHQOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.08
Topological Polar Surface Area 50.19
Polarizability 33.85
Ring Count 3
Rotatable Bond Count 2

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