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| CAS No.: | 13088-50-1 |
|---|---|
| Name: | Ethyl 2-oxoheptanoate |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H16O3 |
| Molecular Weight: | 172.2215 |
| Synonyms: | 2-Oxo-heptanoic acid ethyl ester; |
| Density: | 0.969 g/cm3 |
| Boiling Point: | 231.599 °C at 760 mmHg |
| Flash Point: | 90.802 °C |
| PSA: | 43.37000 |
| LogP: | 1.69890 |
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Specification
The Ethyl 2-oxoheptanoate, with the CAS registry number 13088-50-1, is also known as 2-Oxo-heptanoic acid ethyl ester. This chemical's molecular formula is C9H16O3 and molecular weight is 172.2215. What's more, its systematic name is ethyl 2-oxoheptanoate.
Physical properties about Ethyl 2-oxoheptanoate are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.426; (8)Molar Refractivity: 45.549 cm3; (9)Molar Volume: 177.698 cm3; (10)Polarizability: 18.057×10-24 cm3; (11)Surface Tension: 31.212 dyne/cm; (12)Density: 0.969 g/cm3; (13)Flash Point: 90.802 °C; (14)Enthalpy of Vaporization: 46.827 kJ/mol; (15)Boiling Point: 231.599 °C at 760 mmHg; (16)Vapour Pressure: 0.062 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OCC)CCCCC
(2)InChI: InChI=1/C9H16O3/c1-3-5-6-7-8(10)9(11)12-4-2/h3-7H2,1-2H3
(3)InChIKey: FQBGVMOKNNQVLU-UHFFFAOYAM