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CAS No.: | 6258-28-2 |
---|---|
Name: | (2,6-DIOXO-PIPERIDIN-4-YL)-ACETIC ACID |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H9NO4 |
Molecular Weight: | 171.153 |
Synonyms: | NSC 34039;(2,6-Dioxopiperidin-4-yl)acetic acid; |
Density: | 1.34 g/cm3 |
Melting Point: | 175 °C |
Boiling Point: | 464.7 °C at 760 mmHg |
Flash Point: | 234.8 °C |
PSA: | 83.47000 |
LogP: | -0.15730 |
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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