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38284-44-5

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Basic Information
CAS No.: 38284-44-5
Name: 2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal
Molecular Structure:
Molecular Structure of 38284-44-5 (2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal)
Formula: C5H5F3O2
Molecular Weight: 204.31
Synonyms: 5-Norbornene-2-acrolein,a-butyl- (6CI);2-Butyl-3-(5-norbornen-2-yl)-2-propenal;2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal;2-(5-bicyclo[2.2.1]hept-2-enylmethylene)hexanal;
EINECS: 253-862-7
Density: 1.034 g/cm3
Boiling Point: 313.7 °C at 760 mmHg
Flash Point: 155.9 °C
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  • 2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal

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Specification

The Hexanal, 2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)-, with the CAS registry number 38284-44-5, is also known as 2-(Bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal. Its EINECS number is 253-862-7. This chemical's molecular formula is C5H5F3O2 and molecular weight is 154.09. What's more, its systematic name is methyl 2-(trifluoromethyl)prop-2-enoate.

Physical properties of Hexanal, 2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.73; (6)ACD/BCF (pH 7.4): 61.73; (7)ACD/KOC (pH 5.5): 665.66; (8)ACD/KOC (pH 7.4): 665.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.349; (14)Molar Refractivity: 27.01 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 10.7×10-24 cm3; (17)Surface Tension: 19.5 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 24.8 °C; (20)Enthalpy of Vaporization: 35.33 kJ/mol; (21)Boiling Point: 114.9 °C at 760 mmHg; (22)Vapour Pressure: 19.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)C(=C)\C(=O)OC
(2)InChI: InChI=1/C5H5F3O2/c1-3(4(9)10-2)5(6,7)8/h1H2,2H3
(3)InChIKey: GTRBXMICTQNNIN-UHFFFAOYAD