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109746-09-0

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Basic Information
CAS No.: 109746-09-0
Name: 4-Methoxy-6-pentyl-pyran-2-one
Molecular Structure:
Molecular Structure of 109746-09-0 (4-Methoxy-6-pentyl-pyran-2-one)
Formula: C11H16O3
Molecular Weight: 196.246
Synonyms: 4-METHOXY-6-PENTYL-PYRAN-2-ONE;4-Methoxy-6-pentyl-2H-pyran-2-one
Density: 1.045 g/cm3
Boiling Point: 330.639 °C at 760 mmHg
Flash Point: 136.366 °C
PSA: 39.44000
LogP: 2.38110
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Specification

This chemical has the systematic name 4-Methoxy-6-pentyl-pyran-2-one. With the molecular formula C11H16O3, its molecular weight is196.2429. Additionally, the CAS registry number of this chemical is 109746-09-0.

Other characteristics of the 4-Methoxy-6-pentyl-pyran-2-one can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.157; (6)ACD/BCF (pH 7.4): 12.157; (7)ACD/KOC (pH 5.5): 208.034; (8)ACD/KOC (pH 7.4): 208.034; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 53.894 cm3; (15)Molar Volume: 187.726 cm3; (16)Polarizability: 21.365×10-24cm3; (17)Surface Tension: 34.402 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 136.366 °C; (20)Enthalpy of Vaporization: 57.324 kJ/mol; (21)Boiling Point: 330.639 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCCCCc1cc(cc(=O)o1)OC
2.InChI: InChI=1/C11H16O3/c1-3-4-5-6-9-7-10(13-2)8-11(12)14-9/h7-8H,3-6H2,1-2H3
3.InChIKey: JQGCRHXJDXQXGH-UHFFFAOYAO