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CAS No.: | 87121-89-9 |
---|---|
Name: | ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H10O3 |
Molecular Weight: | 142.155 |
Synonyms: | 3-Oxo-cyclobutanecarboxylic acid ethyl ester |
Density: | 1.169 g/cm3 |
Boiling Point: | 206.9 °C at 760 mmHg |
Flash Point: | 82.3 °C |
PSA: | 35.53000 |
LogP: | 0.19590 |
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The Ethyl 3-oxocyclobutanecarboxylate, with CAS registry number 87121-89-9, has the systematic name of ethyl 3-oxocyclobutanecarboxylate. Besides this, it is also called cyclobutanecarboxylic acid, 3-oxo-, ethyl ester. And the chemical formula of this chemical is C7H10O3.
Physical properties of Ethyl 3-oxocyclobutanecarboxylate: (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): 22.79; (5)ACD/KOC (pH 7.4): 22.79; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.473; (11)Molar Refractivity: 34.16 cm3; (12)Molar Volume: 121.5 cm3; (13)Polarizability: 13.54×10-24cm3; (14)Surface Tension: 41.9 dyne/cm; (15)Density: 1.169 g/cm3; (16)Flash Point: 82.3 °C; (17)Enthalpy of Vaporization: 44.32 kJ/mol; (18)Boiling Point: 206.9 °C at 760 mmHg; (19)Vapour Pressure: 0.231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CC(=O)C1
(2)InChI: InChI=1/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
(3)InChIKey: BXBRFSMPBOTZHJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
(5)Std. InChIKey: BXBRFSMPBOTZHJ-UHFFFAOYSA-N