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| CAS No.: | 74730-43-1 |
|---|---|
| Name: | Methyl 2,4-dioxopiperidin-3-carboxylate |
| Molecular Structure: | |
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| Formula: | C7H9NO4 |
| Molecular Weight: | 171.1507 |
| Synonyms: | Methyl 2,4-dioxopiperidin-3-carboxylate;Methyl-2,4-dioxopiperidine-3-carboxylate;3-Piperidinecarboxylic acid, 2,4-dioxo-, methyl ester |
| Density: | 1.286 g/cm3 |
| Boiling Point: | 391.471 °C at 760 mmHg |
| Flash Point: | 190.555 °C |
| PSA: | 75.96000 |
| LogP: | -0.85950 |
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- Total:13 Page 1 of 1 1
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Specification
With the CAS registry number 74730-43-1, the systematic name of Methyl 2, 4-dioxopiperidine-3-carboxylate is methyl 2,4-dioxopiperidine-3-carboxylate. In addition, its molecular formula is C7H9NO4 and molecular weight is 171.1507.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.47 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.618 cm3; (15)Molar Volume: 133.095 cm3; (16)Polarizability: 14.913×10-24cm3; (17)Surface Tension: 44.02 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 190.555 °C; (20)Enthalpy of Vaporization: 64.109 kJ/mol; (21)Boiling Point: 391.471 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: COC(=O)C1C(=O)CCNC1=O
(2)InChI: InChI=1/C7H9NO4/c1-12-7(11)5-4(9)2-3-8-6(5)10/h5H,2-3H2,1H3,(H,8,10)
(3)InChIKey: DSWIHRDJTNMPEF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H9NO4/c1-12-7(11)5-4(9)2-3-8-6(5)10/h5H,2-3H2,1H3,(H,8,10)
(5)Std. InChIKey: DSWIHRDJTNMPEF-UHFFFAOYSA-N