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Basic Information
CAS No.: 5555-90-8
Name: 2-Propenal, 3-(5-methyl-2-furanyl)-
Molecular Structure:
Molecular Structure of 5555-90-8 (2-Propenal, 3-(5-methyl-2-furanyl)-)
Formula: C8H8O2
Molecular Weight: 136.15
Synonyms: 3-(5-Methyl-2-furyl)prop-2-enal;3-(5-Methyl-2-furanyl)-2-propenal;3-(5-Methyl-2-furyl)acrylaldehyde;3-(5-Methylfuryl)acrolein;
Density: 1.073 g/cm3
Boiling Point: 225.8 °C at 760 mmHg
Flash Point: 96 °C
PSA: 30.21000
LogP: 1.80010
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Specification

The 2-Propenal, 3-(5-methyl-2-furanyl)-, with the CAS registry number 5555-90-8, is also known as 3-(5-Methyl-2-furanyl)-2-propenal. This chemical's molecular formula is C8H8O2 and molecular weight is 136.15. What's more, its systematic name is 3-(5-Methyl-2-furyl)prop-2-enal.

Physical properties of 2-Propenal, 3-(5-methyl-2-furanyl)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 30.21 Å2; (9)Index of Refraction: 1.534; (10)Molar Refractivity: 39.45 cm3; (11)Molar Volume: 126.7 cm3; (12)Polarizability: 15.64×10-24 cm3; (13)Surface Tension: 36 dyne/cm; (14)Density: 1.073 g/cm3; (15)Flash Point: 96 °C; (16)Enthalpy of Vaporization: 46.23 kJ/mol; (17)Boiling Point: 225.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0847 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC=Cc1ccc(C)o1
(2)InChI: InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3
(3)InChIKey: XYYLGSWUPMPWLD-UHFFFAOYSA-N