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3,5-bis[2-(2-methylphenoxy)acetamido]benzoic acid

3,5-bis[2-(2-methylphenoxy)acetamido]benzoic acid

Formula: C25H24N2O6

SMILES: CC1=CC=CC=C1OCC(=O)NC1=CC(=CC(NC(=O)COC2=CC=CC=C2C)=C1)C(O)=O

IUPAC: 3,5-bis[2-(2-methylphenoxy)acetamido]benzoic acid

InChI: InChI=1S/C25H24N2O6/c1-16-7-3-5-9-21(16)32-14-23(28)26-19-11-18(25(30)31)12-20(13-19)27-24(29)15-33-22-10-6-4-8-17(22)2/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)

Composition: C (66.95%), H (5.39%), N (6.25%), O (21.40%)

Molar Mass: 448.475

Atom Count: 57

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 448.163436501
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey JWGHLEAZSMJKCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.05
Topological Polar Surface Area 113.96
Polarizability 46.51
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H24N2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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