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Name |
3-Pentanone,2-(1,3-dioxolan-2-ylidene)- |
EINECS | N/A |
CAS No. | 5418-50-8 | Density | 1.093 g/cm3 |
PSA | 35.53000 | LogP | 1.24380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12O3 | Boiling Point | 241.9 °C at 760 mmHg |
Molecular Weight | 156.181 | Flash Point | 90.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(1,3-Dioxolan-2-ylidene)pentan-3-one; |
The 3-Pentanone,2-(1,3-dioxolan-2-ylidene)-, with the CAS registry number 5418-50-8, is also known as 2-(1,3-Dioxolan-2-ylidene)pentan-3-one. This chemical's molecular formula is C8H12O3 and molecular weight is 156.1791. What's more, its systematic name is called 2-(1,3-Dioxolan-2-ylidene)pentan-3-one.
Physical properties about 3-Pentanone,2-(1,3-dioxolan-2-ylidene)- are: (1)ACD/LogP: 0.75; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.469; (8)Molar Refractivity: 39.81 cm3; (9)Molar Volume: 142.8 cm3; (10)Polarizability: 15.78×10-24 cm3; (11)Surface Tension: 34.7 dyne/cm; (12)Density: 1.093 g/cm3; (13)Flash Point: 90.5 °C; (14)Enthalpy of Vaporization: 47.88 kJ/mol; (15)Boiling Point: 241.9 °C at 760 mmHg; (16)Vapour Pressure: 0.035 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(\C(=C1/OCCO1)C)CC
(2) InChI: InChI=1/C8H12O3/c1-3-7(9)6(2)8-10-4-5-11-8/h3-5H2,1-2H3
(3) InChIKey: QZMMFLPDZAJDSR-UHFFFAOYAK