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| CAS No.: | 70637-75-1 |
|---|---|
| Name: | ETHYL 3-OXO-4-PIPERIDINECARBOXYLATE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H13NO3 |
| Molecular Weight: | 171.196 |
| Synonyms: | ETHYL 3-OXO-4-PIPERIDINECARBOXYLATE;ethyl 3-oxopiperidine-4-carboxylate |
| Density: | 1.118 g/cm3 |
| Boiling Point: | 268.5 °C at 760 mmHg |
| Flash Point: | 116.2 °C |
| PSA: | 55.40000 |
| LogP: | 0.05690 |
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- Total:16 Page 1 of 1 1
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Specification
The 4-Piperidinecarboxylicacid, 3-oxo-, ethyl ester, with the CAS registry number 70637-75-1, has the systematic name ethyl 3-oxopiperidine-4-carboxylate. Its molecular formula is C8H13NO3 and its molecular weight is 171.19.
Other characteristics of the 4-Piperidinecarboxylicacid, 3-oxo-, ethyl ester can be summarised as followings: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 15.98; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 42.12 cm3; (15)Molar Volume: 153.1 cm3; (16)Polarizability: 16.69×10-24cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 116.2 °C; (20)Enthalpy of Vaporization: 50.66 kJ/mol; (21)Boiling Point: 268.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00767 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1CNCCC1C(=O)OCC
2.InChI: InChI=1/C8H13NO3/c1-2-12-8(11)6-3-4-9-5-7(6)10/h6,9H,2-5H2,1H3
3.InChIKey: QPXNWTGYAKMATA-UHFFFAOYAC