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6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one

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Name

6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one

EINECS N/A
CAS No. 51308-12-4 Density 1.081 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C14H16O3 Boiling Point 334.7 °C at 760 mmHg
Molecular Weight 232.275 Flash Point 147.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51308-12-4 (6-(2-methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one) Hazard Symbols N/A
Synonyms

6-(2-Methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one;

 

6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one Specification

The CAS registry number of 6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one is 51308-12-4. The molecular formula of it is C14H16O3 and molecular weight is 232.275. Its systematic name is called 6-(2-Methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.64; (6)ACD/BCF (pH 7.4): 131.64; (7)ACD/KOC (pH 5.5): 1144.64; (8)ACD/KOC (pH 7.4): 1144.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 64.64 cm3; (14)Molar Volume: 214.8 cm3; (15)Surface Tension: 41 dyne/cm; (16)Density: 1.081 g/cm3; (17)Flash Point: 147.4 °C; (18)Enthalpy of Vaporization: 57.77 kJ/mol; (19)Boiling Point: 334.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000126 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=CC(=O)CCCC1(C)Oc2ccccc2O1
(2)InChI: InChI=1/C14H16O3/c1-3-11(15)7-6-10-14(2)16-12-8-4-5-9-13(12)17-14/h3-5,8-9H,1,6-7,10H2,2H3
(3)InChIKey: ZNCLYFSNVGMNSC-UHFFFAOYAY

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