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4'-octyl-[1,1'-biphenyl]-4-carboxylic acid

4'-octyl-[1,1'-biphenyl]-4-carboxylic acid

Formula: C21H26O2

SMILES: CCCCCCCCC1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4'-octyl-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)

Composition: C (81.25%), H (8.44%), O (10.31%)

Molar Mass: 310.437

Atom Count: 49

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 310.193280077
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HXBKPYIEQLLNBK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.7
Topological Polar Surface Area 37.3
Polarizability 38.34
Ring Count 2
Rotatable Bond Count 9

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