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2'-amino-4'-(3,5-dicarboxyphenyl)-[1,1'-biphenyl]-3,5-dicarboxylic acid

2'-amino-4'-(3,5-dicarboxyphenyl)-[1,1'-biphenyl]-3,5-dicarboxylic acid

CAS: 1874200-71-1

Formula: C22H15NO8

SMILES: NC1=CC(=CC=C1C1=CC(=CC(=C1)C(O)=O)C(O)=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O

IUPAC: 2'-amino-4'-(3,5-dicarboxyphenyl)-[1,1'-biphenyl]-3,5-dicarboxylic acid

InChI: InChI=1S/C22H15NO8/c23-18-9-10(11-3-13(19(24)25)7-14(4-11)20(26)27)1-2-17(18)12-5-15(21(28)29)8-16(6-12)22(30)31/h1-9H,23H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)

Composition: C (62.71%), H (3.59%), N (3.32%), O (30.38%)

Molar Mass: 421.361

Atom Count: 46

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 421.079766447
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 5
InChIKey PUZBJBMUFJIHTL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.06
Topological Polar Surface Area 175.22
Polarizability 42.68
Ring Count 3
Rotatable Bond Count 6

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98% <5 Days 1874200-71-1 $22.70-$146.28$22.70$37.83$146.28
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