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2-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)-5-methylcyclohexane-1,3-dione

2-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)-5-methylcyclohexane-1,3-dione

CAS: 1023850-58-9

Formula: C21H20O3

SMILES: CC1CC(=O)C(CC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C(=O)C1

IUPAC: 2-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)-5-methylcyclohexane-1,3-dione

InChI: InChI=1S/C21H20O3/c1-14-11-20(23)18(21(24)12-14)13-19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3

Composition: C (78.73%), H (6.29%), O (14.98%)

Molar Mass: 320.388

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 320.141244504
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ALKUTOKYIMQMRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.28
Topological Polar Surface Area 51.21
Polarizability 37.35
Ring Count 3
Rotatable Bond Count 4

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