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3-(4-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-2-methoxyphenoxymethyl)benzoic acid

3-(4-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-2-methoxyphenoxymethyl)benzoic acid

Formula: C25H20N2O6

SMILES: COC1=CC(C=C2NC(=O)N(C2=O)C2=CC=CC=C2)=CC=C1OCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-[(4-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

InChI: InChI=1S/C25H20N2O6/c1-32-22-14-16(10-11-21(22)33-15-17-6-5-7-18(12-17)24(29)30)13-20-23(28)27(25(31)26-20)19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,26,31)(H,29,30)/b20-13+

Composition: C (67.56%), H (4.54%), N (6.30%), O (21.60%)

Molar Mass: 444.443

Atom Count: 53

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 444.132136372
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey PXKHHQDPXMCDHA-DEDYPNTBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.2
Topological Polar Surface Area 105.17
Polarizability 45.68
Ring Count 4
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H20N2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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