Basic Information | Post buying leads | Suppliers |
Name |
2-Propenal, 3-(5-methyl-2-furanyl) |
EINECS | N/A |
CAS No. | 5555-90-8 | Density | 1.073 g/cm3 |
PSA | 30.21000 | LogP | 1.80010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8O2 | Boiling Point | 225.8 °C at 760 mmHg |
Molecular Weight | 136.15 | Flash Point | 96 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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