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1-{[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid

1-{[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid

CAS: 93022-07-2

Formula: C16H14O2

SMILES: OC(=O)C1(CC1)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid

InChI: InChI=1S/C16H14O2/c17-15(18)16(10-11-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)

Composition: C (80.65%), H (5.92%), O (13.43%)

Molar Mass: 238.286

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 238.099379691
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HECJEJBAKHEDSP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.78
Topological Polar Surface Area 37.3
Polarizability 28.46
Ring Count 3
Rotatable Bond Count 3

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