3-Buten-2-one,4-(6-methoxy-2-naphthalenyl)- (56600-90-9)

The 4-(6-Methoxy-2-naphthalenyl)-3-buten-zone, with the CAS registry number 56600-90-9, has the systematic name of (3E)-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one. It should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₅H₁₄O₂.

The characteristics of 4-(6-Methoxy-2-naphthalenyl)-3-buten-zone are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 196; (6)ACD/BCF (pH 7.4): 196; (7)ACD/KOC (pH 5.5): 1522; (8)ACD/KOC (pH 7.4): 1522; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 71.326 cm³; (15)Molar Volume: 202.154 cm³; (16)Polarizability: 28.276×10^-24cm³; (17)Surface Tension: 42.313 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 190.326 °C; (20)Enthalpy of Vaporization: 65.787 kJ/mol; (21)Boiling Point: 406.177 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(\C=C\c1ccc2c(c1)ccc(OC)c2)C
(2)InChI: InChI=1/C15H14O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h3-10H,1-2H3/b4-3+
(3)InChIKey: ODKROFHKPKRFPM-ONEGZZNKBQ