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| CAS No.: | 32811-75-9 |
|---|---|
| Name: | methyl 3-oxocyclopentane-1-carboxylate |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C7H10O3 |
| Molecular Weight: | 142.155 |
| Synonyms: | Methyl3-oxocyclopentanecarboxylate;NSC 41335; |
| Density: | 1.157 g/cm3 |
| Boiling Point: | 209.7 °C at 760 mmHg |
| Flash Point: | 84 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41-52 |
| Safety: | 26-39 |
| PSA: | 43.37000 |
| LogP: | 0.52860 |
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Specification
The Cyclopentanecarboxylic acid, 3-oxo-, methyl ester, with the CAS registry number 32811-75-9, is also known as Methyl3-oxocyclopentanecarboxylate. This chemical's molecular formula is C7H10O3 and molecular weight is 142.1525. What's more, its IUPAC name is Methyl 3-oxocyclopentane-1-carboxylate.
Physical properties about Cyclopentanecarboxylic acid, 3-oxo-, methyl ester are: (1) ACD/LogP: -0.48; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 43.37 Å2; (7) Index of Refraction: 1.467; (8) Molar Refractivity: 34.13 cm3; (9) Molar Volume: 122.8 cm3; (10) Polarizability: 13.53×10-24 cm3; (11) Surface Tension: 40.2 dyne/cm; (12) Density: 1.157 g/cm3; (13) Flash Point: 84 °C; (14) Enthalpy of Vaporization: 44.6 kJ/mol; (15) Boiling Point: 209.7 °C at 760 mmHg; (16) Vapour Pressure: 0.2 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(C(=O)OC)C1
(2) InChI: InChI=1/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3
(3) InChIKey: KTGCFXSELRVRFH-UHFFFAOYAA