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{3'-cyano-[1,1'-biphenyl]-4-yl}acetic acid

{3'-cyano-[1,1'-biphenyl]-4-yl}acetic acid

CAS: 893640-23-8

Formula: C15H11NO2

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

IUPAC: 2-{3'-cyano-[1,1'-biphenyl]-4-yl}acetic acid

InChI: InChI=1S/C15H11NO2/c16-10-12-2-1-3-14(8-12)13-6-4-11(5-7-13)9-15(17)18/h1-8H,9H2,(H,17,18)

Composition: C (75.94%), H (4.67%), N (5.90%), O (13.49%)

Molar Mass: 237.258

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.078978598
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FZCMCBMGTVYSLD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.22
Topological Polar Surface Area 61.09
Polarizability 27.31
Ring Count 2
Rotatable Bond Count 3

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