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| CAS No.: | 922500-91-2 |
|---|---|
| Name: | ethyl 2-(oxetan-3-ylidene)acetate |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C7H10O3 |
| Molecular Weight: | 142.155 |
| Synonyms: | acetic acid, 2-(3-oxetanylidene)-, ethyl ester; Ethyl oxetan-3-ylideneacetate; LogP |
| Density: | 1.228 g/cm3 |
| Boiling Point: | 207.1 °C at 760 mmHg |
| Flash Point: | 78 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 35.53000 |
| LogP: | 0.50610 |
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Specification
The Ethyl oxetan-3-ylideneacetate, with the CAS registry number of 922500-91-2, is also known as Acetic acid, 2-(3-oxetanylidene)-, ethyl ester. This chemical's molecular formula is C7H10O3. What's more, its systematic name is Ethyl 2-(oxetan-3-ylidene)acetate.
Physical properties about the Ethyl oxetan-3-ylideneacetate are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.95; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 56.05; (8)ACD/KOC (pH 7.4): 56.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 37.36 cm3; (15)Molar Volume: 115.7 cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.228 g/cm3; (18)Flash Point: 78 °C; (19)Enthalpy of Vaporization: 44.34 kJ/mol; (20)Boiling Point: 207.1 °C at 760 mmHg; (21)Vapour Pressure: 0.229 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C=C1COC1
(2) InChI: InChI=1/C7H10O3/c1-2-10-7(8)3-6-4-9-5-6/h3H,2,4-5H2,1H3
(3) InChIKey: CVZGHWOZWYWLBL-UHFFFAOYAM