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2',4',5'-tris(3-carboxyphenyl)-[1,1'-biphenyl]-3-carboxylic acid

2',4',5'-tris(3-carboxyphenyl)-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1629643-34-0

Formula: C34H22O8

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

IUPAC: 2',4',5'-tris(3-carboxyphenyl)-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C34H22O8/c35-31(36)23-9-1-5-19(13-23)27-17-29(21-7-3-11-25(15-21)33(39)40)30(22-8-4-12-26(16-22)34(41)42)18-28(27)20-6-2-10-24(14-20)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 FEUJAYRFYGWSSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 155.63
Topological Polar Surface Area 149.2
Polarizability 63.44
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1629643-34-0 $25.22-$229.50$25.22$66.83$229.50
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