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69704-15-0

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Basic Information
CAS No.: 69704-15-0
Name: 4-HYDROXY-4'-METHOXYCHALCONE
Article Data: 17
Molecular Structure:
Molecular Structure of 69704-15-0 (4-HYDROXY-4'-METHOXYCHALCONE)
Formula: C16H14O3
Molecular Weight: 254.285
Synonyms: NSC 139722;
Density: 1.197 g/cm3
Boiling Point: 443.3 °C at 760 mmHg
Flash Point: 166.7 °C
Hazard Symbols: IrritantXi
PSA: 46.53000
LogP: 3.29690
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Specification

This chemical is called 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-, and its CAS registry number is 69704-15-0. With the molecular formula of C16H14O3, its molecular weight is 254.28. Additionally, its product category is Chalcones. 

Other characteristics of the 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 75.66 cm3; (9)Molar Volume: 212.2 cm3; (10)Polarizability: 29.99×10-24cm3; (11)Surface Tension: 49.3 dyne/cm; (12)Density: 1.197 g/cm3; (13)Flash Point: 166.7 °C; (14)Enthalpy of Vaporization: 72.79 kJ/mol; (15)Boiling Point: 443.3 °C at 760 mmHg; (16)Vapour Pressure: 1.8E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(OC)cc1)C=Cc2ccc(O)cc2
2.InChI: InChI=1/C16H14O3/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11,17H,1H3
3.InChIKey: WSEGRADBFAKNHQ-UHFFFAOYAH