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56600-90-9

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Basic Information
CAS No.: 56600-90-9
Name: 4-(6-Methoxy-2-naphthalenyl)-3-buten-zone
Article Data: 7
Molecular Structure:
Molecular Structure of 56600-90-9 (4-(6-Methoxy-2-naphthalenyl)-3-buten-zone)
Formula: C15H14O2
Molecular Weight: 226.275
Synonyms: 1-(2'-Methoxynaphth-6'-yl)but-1-en-3-one;4-(6-Methoxy-2-naphthyl)-3-buten-2-one;(3E)-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one;3E)-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one;3-buten-2-one, 4-(6-methoxy-2-naphthalenyl)-, (3E)-;4-(6-Methoxynaphthalen-2-yl)but-3-en-2-one;
Density: 1.119 g/cm3
Boiling Point: 406.177 °C at 760 mmHg
Flash Point: 190.326 °C
PSA: 26.30000
LogP: 3.45060
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Specification

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