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CAS No.: | 1105665-34-6 |
---|---|
Name: | Methyl 2-(oxetan-3-ylidene)acetate |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H8O3 |
Molecular Weight: | 128.128 |
Synonyms: | Acetic acid, 2-(3-oxetanylidene)-, methyl ester;Methyl oxetan-3-ylideneacetate; |
Density: | 1.291 g/cm3 |
Melting Point: | 47-52°C |
Boiling Point: | 188.241 °C at 760 mmHg |
Flash Point: | 69.092 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 36/37/39 |
PSA: | 35.53000 |
LogP: | 0.11600 |
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The Methyl 2-(oxetan-3-ylidene)acetate, with the CAS registry number 1105665-34-6, is also called Acetic acid, 2-(3-oxetanylidene)-, methyl ester. And the molecular formula of this chemical is C6H8O3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Methyl 2-(oxetan-3-ylidene)acetate are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23.735; (5)ACD/KOC (pH 7.4): 23.735; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 35.53 Å2; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 32.73 cm3; (12)Molar Volume: 99.222 cm3; (13)Polarizability: 12.975×10-24cm3; (14)Surface Tension: 55.165 dyne/cm; (15)Density: 1.291 g/cm3; (16)Flash Point: 69.092 °C; (17)Enthalpy of Vaporization: 42.445 kJ/mol; (18)Boiling Point: 188.241 °C at 760 mmHg; (19)Vapour Pressure: 0.605 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C=C1COC1
(2)InChI: InChI=1/C6H8O3/c1-8-6(7)2-5-3-9-4-5/h2H,3-4H2,1H3
(3)InChIKey: QUBZUQPHJXYCSI-UHFFFAOYAH