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

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

CAS: 88038-94-2

Formula: C16H16O2

SMILES: CCCC1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O

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

InChI: InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)

Composition: C (79.97%), H (6.71%), O (13.32%)

Molar Mass: 240.302

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 240.115029755
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HCPBURTZSXRGBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.69
Topological Polar Surface Area 37.3
Polarizability 29.1
Ring Count 2
Rotatable Bond Count 4

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