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CAS No.: | 922500-93-4 |
---|---|
Name: | oxetan-3-ylidene-acetaldehyde |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H6O2 |
Molecular Weight: | 98.1014 |
Synonyms: | Oxetan-3-ylideneacetaldehyde;Oxetan-3-ylideneacetaldehyde; |
Density: | 1.281 g/cm3 |
Boiling Point: | 198.859 °C at 760 mmHg |
Flash Point: | 90.232 °C |
PSA: | 26.30000 |
LogP: | 0.14190 |
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The Oxetan-3-ylidene acetaldehyde, with the CAS registry number 1716-60-5, is also known as acetaldehyde, 2-(3-oxetanylidene)-. And the molecular formula of this chemical is C5H6O2. What's more, it is also called 2-(3-Oxetanylidene)acetaldehyde.
The physical properties of Oxetan-3-ylidene acetaldehyde 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): 13.228; (5)ACD/KOC (pH 7.4): 13.228; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 26.509 cm3; (12)Molar Volume: 76.551 cm3; (13)Polarizability: 10.509×10-24cm3; (14)Surface Tension: 60.764 dyne/cm; (15)Density: 1.281 g/cm3; (16)Flash Point: 90.232 °C; (17)Enthalpy of Vaporization: 43.506 kJ/mol; (18)Boiling Point: 198.859 °C at 760 mmHg; (19)Vapour Pressure: 0.352 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C(=CC=O)CO1
(2)InChI: InChI=1/C5H6O2/c6-2-1-5-3-7-4-5/h1-2H,3-4H2
(3)InChIKey: YNPWQZQHYRKIRZ-UHFFFAOYAC