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4-[(2-{4-[(2-hydroxyethoxy)carbonyl]benzoyloxy}ethoxy)carbonyl]benzoic acid

4-[(2-{4-[(2-hydroxyethoxy)carbonyl]benzoyloxy}ethoxy)carbonyl]benzoic acid

Formula: C20H18O9

SMILES: OCCOC(=O)C1=CC=C(C=C1)C(=O)OCCOC(=O)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(2-{4-[(2-hydroxyethoxy)carbonyl]benzoyloxy}ethoxy)carbonyl]benzoic acid

InChI: InChI=1S/C20H18O9/c21-9-10-27-18(24)15-5-7-16(8-6-15)20(26)29-12-11-28-19(25)14-3-1-13(2-4-14)17(22)23/h1-8,21H,9-12H2,(H,22,23)

Composition: C (59.70%), H (4.51%), O (35.79%)

Molar Mass: 402.355

Atom Count: 47

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 402.09508216
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey KIBVCBDFRCQZMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.77
Topological Polar Surface Area 136.43
Polarizability 38.13
Ring Count 2
Rotatable Bond Count 12

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Purity LeadTime Formula UnitPrice
98% <10 Days C20H18O9 Quote Only