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4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid

4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid

CAS: 3753-05-7

Formula: C16H14O6

SMILES: OC(=O)C1=CC=C(OCCOC2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid

InChI: InChI=1S/C16H14O6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)

Composition: C (63.58%), H (4.67%), O (31.76%)

Molar Mass: 302.282

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 302.079038171
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey VAXBLYWAVAIJJJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.59
Topological Polar Surface Area 93.06
Polarizability 29.67
Ring Count 2
Rotatable Bond Count 7

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