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

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

CAS: 1078153-58-8

Formula: C34H22O8

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(C2=CC=C(C=C2)C(O)=O)=C(C=C1C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O

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

InChI: InChI=1S/C34H22O8/c35-31(36)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(39)40)30(22-7-15-26(16-8-22)34(41)42)18-28(27)20-3-11-24(12-4-20)32(37)38/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

Composition: C (73.11%), H (3.97%), O (22.92%)

Molar Mass: 558.542

Atom Count: 64

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 558.131467668
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey SRTQKANXPMBQCX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 155.63
Topological Polar Surface Area 149.2
Polarizability 63.45
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1078153-58-8 $21.44-$733.90$21.44$31.53$102.14$389.65$733.90
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