4-(4'-n-Heptylphenyl)benzoic acid

Chemical Properties

Boiling point	449.9±34.0 °C(Predicted)
Density	1.048±0.06 g/cm3(Predicted)
solubility	almost transparency in hot EtOH
form	powder to crystal
pka	4.23±0.10(Predicted)
color	White to Almost white
InChI	InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
InChIKey	XVROSBHWACAQRL-UHFFFAOYSA-N
SMILES	C1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C(O)=O)C=C1
CAS DataBase Reference	58573-94-7(CAS DataBase Reference)

HS Code

2916.31.5000

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