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3'-methyl-[1,1'-biphenyl]-4-carboxylic acid

3'-methyl-[1,1'-biphenyl]-4-carboxylic acid

CAS: 5728-33-6

Formula: C14H12O2

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

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

InChI: InChI=1S/C14H12O2/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h2-9H,1H3,(H,15,16)

Composition: C (79.23%), H (5.70%), O (15.08%)

Molar Mass: 212.248

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.083729626
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CVFLWXCNPWFJEH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.49
Topological Polar Surface Area 37.3
Polarizability 25.41
Ring Count 2
Rotatable Bond Count 2

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