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Basic Information
CAS No.: 62378-68-1
Name: 2,3-DIMETHOXYCINNAMALDEHYDE
Article Data: 3
Molecular Structure:
Molecular Structure of 62378-68-1 (2,3-DIMETHOXYCINNAMALDEHYDE)
Formula: C11H12O3
Molecular Weight: 192.214
Synonyms: 2-Propenal,3-(2,3-dimethoxyphenyl)-, (E)-;(2E)-3-(2,3-Dimethoxyphenyl)prop-2-enal;2,3-Dimethoxycinnamaldehyde;
Density: 1.093 g/cm3
Boiling Point: 320.6 °C at 760 mmHg
Flash Point: 138.7 °C
PSA: 35.53000
LogP: 1.91590
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Specification

The 2-Propenal,3-(2,3-dimethoxyphenyl)-, (2E)-, with the CAS registry number 62378-68-1, is also known as 2,3-Dimethoxycinnamaldehyde. This chemical's molecular formula is C11H12O3 and molecular weight is 192.21. What's more, its systematic name is (2E)-3-(2,3-Dimethoxyphenyl)prop-2-enal.

Physical properties of 2-Propenal,3-(2,3-dimethoxyphenyl)-, (2E)- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.85; (6)ACD/BCF (pH 7.4): 19.85; (7)ACD/KOC (pH 5.5): 295.55; (8)ACD/KOC (pH 7.4): 295.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 55.68 cm3; (15)Molar Volume: 175.7 cm3; (16)Polarizability: 22.07×10-24 cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 138.7 °C; (20)Enthalpy of Vaporization: 56.23 kJ/mol; (21)Boiling Point: 320.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000314 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\c1cccc(OC)c1OC
(2)InChI: InChI=1S/C11H12O3/c1-13-10-7-3-5-9(6-4-8-12)11(10)14-2/h3-8H,1-2H3/b6-4+
(3)InChIKey: FRIBMENBGGCKPD-GQCTYLIASA-N