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74683-19-5

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Basic Information
CAS No.: 74683-19-5
Name: 3-Methoxy-4,5-methylenedioxycinnamaldehyde
Molecular Structure:
Molecular Structure of 74683-19-5 (3-Methoxy-4,5-methylenedioxycinnamaldehyde)
Formula: C11H10O4
Molecular Weight: 206.1947
Synonyms: 3-(7-Methoxy-1,3-benzodioxol-5-yl)-2-propenal;
Density: 1.265 g/cm3
Boiling Point: 359.4 °C at 760 mmHg
Flash Point: 161.9 °C
PSA: 44.76000
LogP: 1.63600
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Specification

The 3-Methoxy-4,5-methylenedioxycinnamaldehyde, with the CAS registry number 74683-19-5, is also known as 3-(7-Methoxy-1,3-benzodioxol-5-yl)-2-propenal. This chemical's molecular formula is C11H10O4 and molecular weight is 206.1947. What's more, its systematic name is called (2E)-3-(7-Methoxy-1,3-benzodioxol-5-yl)prop-2-enal.

Physical properties about 3-Methoxy-4,5-methylenedioxycinnamaldehyde are: (1)ACD/LogP: 2.47; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.48; (6)ACD/BCF (pH 7.4): 44.48; (7)ACD/KOC (pH 5.5): 526.45; (8)ACD/KOC (pH 7.4): 526.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 55.16 cm3; (15)Molar Volume: 162.9 cm3; (16)Polarizability: 21.87×10-24 cm3 ; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 161.9 °C; (20)Enthalpy of Vaporization: 60.5 kJ/mol; (21)Boiling Point: 359.4 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\C=C\c1cc2OCOc2c(OC)c1
(2) InChI: InChI=1/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
(3) InChIKey: IQMBSQBMNIILBR-NSCUHMNNBO