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74841-38-6

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Basic Information
CAS No.: 74841-38-6
Name: 3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Molecular Structure:
Molecular Structure of 74841-38-6 (3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)
Formula: C18H20O3
Molecular Weight: 284.355
Synonyms: 3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-norbornan-2-one;
EINECS: 278-007-5
Density: 1.216 g/cm3
Boiling Point: 405 °C at 760 mmHg
Flash Point: 190.4 °C
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    3-(1,3-BENZODIOXOL-5-YLMETHYLENE)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONEAppearance: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 Bicyclo[2.2.1]heptan-2-one,3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl- has the CAS registry number 74841-38-6. Its EINECS number is 278-007-5. This chemical's molecular formula is C18H20O3 and molecular weight is 284.35. What's more, its systematic name is 3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-norbornan-2-one. 

Physical properties of Bicyclo[2.2.1]heptan-2-one,3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl- are: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 35.53 Å2; (9)Index of Refraction: 1.611; (10)Molar Refractivity: 81.19 cm3; (11)Molar Volume: 233.8 cm3; (12)Polarizability: 32.19×10-24 cm3; (13)Surface Tension: 47.1 dyne/cm; (14)Density: 1.216 g/cm3; (15)Flash Point: 190.4 °C; (16)Enthalpy of Vaporization: 65.65 kJ/mol; (17)Boiling Point: 405 °C at 760 mmHg; (18)Vapour Pressure: 9.08E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C3C(=Cc1ccc2OCOc2c1)C4CCC3(C)C4(C)C
(2)InChI: InChI=1/C18H20O3/c1-17(2)13-6-7-18(17,3)16(19)12(13)8-11-4-5-14-15(9-11)21-10-20-14/h4-5,8-9,13H,6-7,10H2,1-3H3
(3)InChIKey: OMKMCEVABFYVSE-UHFFFAOYAN