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| CAS No.: | 219324-18-2 |
|---|---|
| Name: | 4-OXO-PIPERIDINE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C6H9NO3 |
| Molecular Weight: | 143.14 |
| Synonyms: | 4-OXO-PIPERIDINE-3-CARBOXYLIC ACID;4-oxo-piperidin-3-carboxylic acid;3-Piperidinecarboxylic acid, 4-oxo- |
| Density: | 1.287 g/cm3 |
| Boiling Point: | 341.36 °C at 760 mmHg |
| Flash Point: | 160.249 °C |
| PSA: | 66.40000 |
| LogP: | -0.42160 |
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- Total:16 Page 1 of 1 1
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Specification
The 3-Piperidinecarboxylicacid, 4-oxo-, with CAS registry number 219324-18-2, belongs to the following product category: Pharmacetical. It has the systematic name of 4-oxopiperidine-3-carboxylic acid. And the chemical formula of this chemical is C6H9NO3.
Physical properties of 3-Piperidinecarboxylicacid, 4-oxo-: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.4 Å2; (11)Index of Refraction: 1.499; (12)Molar Refractivity: 32.645 cm3; (13)Molar Volume: 111.234 cm3; (14)Polarizability: 12.941×10-24cm3; (15)Surface Tension: 48.976 dyne/cm; (16)Density: 1.287 g/cm3; (17)Flash Point: 160.249 °C; (18)Enthalpy of Vaporization: 64.289 kJ/mol; (19)Boiling Point: 341.36 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCNCC1C(=O)O
(2)InChI: InChI=1/C6H9NO3/c8-5-1-2-7-3-4(5)6(9)10/h4,7H,1-3H2,(H,9,10)
(3)InChIKey: WVTNKCOAFNRABI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H9NO3/c8-5-1-2-7-3-4(5)6(9)10/h4,7H,1-3H2,(H,9,10)
(5)Std. InChIKey: WVTNKCOAFNRABI-UHFFFAOYSA-N