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5-(4-carboxyphenyl)-[1,1'-biphenyl]-2,4,4'-tricarboxylic acid

5-(4-carboxyphenyl)-[1,1'-biphenyl]-2,4,4'-tricarboxylic acid

Formula: C22H14O8

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(C2=CC=C(C=C2)C(O)=O)=C(C=C1C(O)=O)C(O)=O

IUPAC: 5-(4-carboxyphenyl)-[1,1'-biphenyl]-2,4,4'-tricarboxylic acid

InChI: InChI=1S/C22H14O8/c23-19(24)13-5-1-11(2-6-13)15-9-16(12-3-7-14(8-4-12)20(25)26)18(22(29)30)10-17(15)21(27)28/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)

Composition: C (65.03%), H (3.47%), O (31.50%)

Molar Mass: 406.346

Atom Count: 44

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 406.068867411
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey XUMDIWKMZRYISQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.36
Topological Polar Surface Area 149.2
Polarizability 41.54
Ring Count 3
Rotatable Bond Count 6

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