3-ANTHRACEN-9-YL-PROPIONIC ACID

The CAS register number of 9-Anthracenepropanoicacid is 41034-83-7. It also can be called as 3-(9-Anthryl)propanoic acid and the IUPAC name about this chemical is 3-anthracen-9-ylpropanoic acid. The molecular formula about this chemical is C₁₇H₁₄O₂ and the molecular weight is 250.29.

Physical properties about 9-Anthracenepropanoicacid are: (1)ACD/LogP: 4.30; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 119.77; (5)ACD/BCF (pH 7.4): 1.88; (6)ACD/KOC (pH 5.5): 570.78; (7)ACD/KOC (pH 7.4): 8.97; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3Ų; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 77.68 cm³; (14)Molar Volume: 201.6 cm³; (15)Polarizability: 30.79x10^-24cm³; (16)Surface Tension: 56.6 dyne/cm; (17)Enthalpy of Vaporization: 78.01 kJ/mol; (18)Boiling Point: 476.7 °C at 760 mmHg; (19)Vapour Pressure: 6.75E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(9-Anthrylmethyl)-malonsaeure. The reaction temperature is 210 - 220 ℃.

Uses of 9-Anthracenepropanoicacid: it can be used to produce 3-[9]anthryl-propionic acid methyl ester with diazomethane. This reaction will need solvent diethyl ether. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc2c3c(cc1c2cccc1)cccc3
(2)InChI: InChI=1/C17H14O2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9-10H2,(H,18,19)
(3)InChIKey: BDGMYCZUEIGHJH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C17H14O2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9-10H2,(H,18,19)
(5)Std. InChIKey: BDGMYCZUEIGHJH-UHFFFAOYSA-N