4-{[6-(4-carboxyphenoxy)hexyl]oxy}benzoic acid

4-{[6-(4-carboxyphenoxy)hexyl]oxy}benzoic acid

CAS: 74774-53-1

Formula: C20H22O6

SMILES: OC(=O)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-{[6-(4-carboxyphenoxy)hexyl]oxy}benzoic acid

InChI: InChI=1S/C20H22O6/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H,21,22)(H,23,24)

Composition: C (67.03%), H (6.19%), O (26.78%)

Molar Mass: 358.39

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	358.141638428
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	FQJXYULOQZUKBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.3
Topological Polar Surface Area	93.06
Polarizability	37
Ring Count	2
Rotatable Bond Count	11

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