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3',5'-bis(4-carboxyphenyl)-2',4',6'-trimethyl-[1,1'-biphenyl]-4-carboxylic acid

3',5'-bis(4-carboxyphenyl)-2',4',6'-trimethyl-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1246562-60-6

Formula: C30H24O6

SMILES: CC1=C(C(C)=C(C(C)=C1C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O

IUPAC: 3',5'-bis(4-carboxyphenyl)-2',4',6'-trimethyl-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C30H24O6/c1-16-25(19-4-10-22(11-5-19)28(31)32)17(2)27(21-8-14-24(15-9-21)30(35)36)18(3)26(16)20-6-12-23(13-7-20)29(33)34/h4-15H,1-3H3,(H,31,32)(H,33,34)(H,35,36)

Composition: C (74.99%), H (5.03%), O (19.98%)

Molar Mass: 480.516

Atom Count: 60

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 480.157288493
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey PBPZGWJKXHZWFE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 138.36
Topological Polar Surface Area 111.9
Polarizability 55.47
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1246562-60-6 $44.14-$132.41$44.14$132.41
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