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3',5'-dimethyl-[1,1'-biphenyl]-4-carboxylic acid

3',5'-dimethyl-[1,1'-biphenyl]-4-carboxylic acid

CAS: 505082-92-8

Formula: C15H14O2

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

IUPAC: 3',5'-dimethyl-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C15H14O2/c1-10-7-11(2)9-14(8-10)12-3-5-13(6-4-12)15(16)17/h3-9H,1-2H3,(H,16,17)

Composition: C (79.62%), H (6.24%), O (14.14%)

Molar Mass: 226.275

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.099379691
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KQVFDBZDLRABMX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.53
Topological Polar Surface Area 37.3
Polarizability 27.17
Ring Count 2
Rotatable Bond Count 2

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