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4-{[10-(4-carboxyphenoxy)decyl]oxy}benzoic acid

4-{[10-(4-carboxyphenoxy)decyl]oxy}benzoic acid

CAS: 74774-61-1

Formula: C24H30O6

SMILES: OC(=O)C1=CC=C(OCCCCCCCCCCOC2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-{[10-(4-carboxyphenoxy)decyl]oxy}benzoic acid

InChI: InChI=1S/C24H30O6/c25-23(26)19-9-13-21(14-10-19)29-17-7-5-3-1-2-4-6-8-18-30-22-15-11-20(12-16-22)24(27)28/h9-16H,1-8,17-18H2,(H,25,26)(H,27,28)

Composition: C (69.55%), H (7.30%), O (23.16%)

Molar Mass: 414.498

Atom Count: 60

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 414.204238686
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey XRDKWFXOXXUQJS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 114.7
Topological Polar Surface Area 93.06
Polarizability 44.35
Ring Count 2
Rotatable Bond Count 15

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