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Name |
4-Piperidineaceticacid, 2,6-dioxo- |
EINECS | N/A |
CAS No. | 6258-28-2 | Density | 1.34 g/cm3 |
PSA | 83.47000 | LogP | -0.15730 |
Solubility | N/A | Melting Point |
175 °C |
Formula | C7H9NO4 | Boiling Point | 464.7 °C at 760 mmHg |
Molecular Weight | 171.153 | Flash Point | 234.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 34039;(2,6-Dioxopiperidin-4-yl)acetic acid; |
Article Data | 13 |
The 4-Piperidineaceticacid, 2,6-dioxo-, with the CAS registry number 6258-28-2, is also named as (2,6-dioxopiperidin-4-yl)acetic acid. Its molecular formula is C7H9NO4 and its molecular weight is 171.15. Additionally, its IUPAC name is 2-(2,6-dioxopiperidin-4-yl)acetic acid.
Other characteristics of the 4-Piperidineaceticacid, 2,6-dioxo- can be summarised as followings: (1)ACD/LogP: -0.52; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.68 Å2; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 37.55 cm3; (13)Molar Volume: 127.6 cm3; (14)Polarizability: 14.88×10-24cm3; (15)Surface Tension: 49.9 dyne/cm; (16)Density: 1.34 g/cm3; (17)Flash Point: 234.8 °C; (18)Enthalpy of Vaporization: 79.57 kJ/mol; (19)Boiling Point: 464.7 °C at 760 mmHg; (20)Vapour Pressure: 6.36E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1NC(=O)CC(CC(=O)O)C1
2.InChI: InChI=1/C7H9NO4/c9-5-1-4(3-7(11)12)2-6(10)8-5/h4H,1-3H2,(H,11,12)(H,8,9,10)
3.InChIKey: MLOIZNBOQITCOX-UHFFFAOYAD