Products Categories
CAS No.: | 187806-17-3 |
---|---|
Name: | [(E)-5-Acetoxypent-3-enyl] acetate |
Molecular Structure: | |
Formula: | C9H14O4 |
Molecular Weight: | 186.21 |
Density: | 1.048 g/cm3 |
Boiling Point: | 249.64 °C at 760 mmHg |
Flash Point: | 116.982 °C |
What can I do for you?
Get Best Price
This product is an organic compound with the formula C9H14O4. The systematic name of this chemical is [(E)-5-Acetoxypent-3-enyl] acetate. Its CAS registry number is 187806-17-3. In addition, the molecular weight is 186.21.
Physical properties of [(E)-5-Acetoxypent-3-enyl] acetate are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.153; (4)ACD/LogD (pH 7.4): 1.153; (5)ACD/BCF (pH 5.5): 4.427; (6)ACD/BCF (pH 7.4): 4.427; (7)ACD/KOC (pH 5.5): 100.953; (8)ACD/KOC (pH 7.4): 100.953; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 47.352 cm3; (15)Molar Volume: 177.675 cm3; (16)Polarizability: 18.772×10-24cm3; (17)Surface Tension: 33.324 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 116.982 °C; (20)Enthalpy of Vaporization: 48.688 kJ/mol; (21)Boiling Point: 249.64 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OCC/C=C/COC(=O)C
(2)Std. InChI: InChI=1S/C9H14O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-4H,5-7H2,1-2H3/b4-3+
(3)Std. InChIKey: OLSFTXUJEVKHAU-ONEGZZNKSA-N