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61349-69-7

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Basic Information
CAS No.: 61349-69-7
Name: Cyclopentanone, 2-(4-methoxyphenyl)-
Article Data: 11
Molecular Structure:
Molecular Structure of 61349-69-7 (Cyclopentanone, 2-(4-methoxyphenyl)-)
Formula: C11H11FO2
Molecular Weight: 190.242
Density: 1.294 g/cm3
Boiling Point: 318.686 °C at 760 mmHg
Flash Point: 146.536 °C
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    Cyclopentanone, 2-(4-methoxyphenyl)-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Cyclopentanone, 2-(4-methoxyphenyl)-, with the CAS registry number 61349-69-7, is also known as 1-(4-fluorophenyl)cyclobutane-1-carboxylic acid. This chemical's molecular formula is C11H11FO2 and molecular weight is 194.2022. What's more, its systematic name is 1-(4-Fluorophenyl)cyclobutanecarboxylic acid.

Physical properties about Cyclopentanone, 2-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 48.898 cm3; (14)Molar Volume: 150.052 cm3; (15)Polarizability: 19.385×10-24 cm3; (16)Surface Tension: 50.637 dyne/cm; (17)Density: 1.294 g/cm3; (18)Flash Point: 146.536 °C; (19)Enthalpy of Vaporization: 59.143 kJ/mol; (20)Boiling Point: 318.686 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(CCC1)c2ccc(F)cc2
(2) InChI: InChI=1/C11H11FO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
(3) InChIKey: DLRUUSGLTWPTQG-UHFFFAOYAI