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| CAS No.: | 67900-19-0 |
|---|---|
| Name: | 4-MORPHOLIN-4-YL-4-OXO-BUTYRIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H13NO4 |
| Molecular Weight: | 187.1931 |
| Synonyms: | 4-(4-Morpholinyl)-4-oxobutanoic acid; |
| Density: | 1.269 g/cm3 |
| Melting Point: | 75-77 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 420.3 °C at 760 mmHg |
| Flash Point: | 208 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 66.84000 |
| LogP: | -0.35210 |
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- Total:16 Page 1 of 1 1
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Specification
The 4-Morpholin-4-yl-4-oxo-butanoic acid, with the CAS registry number of 67900-19-0, is also known as 4-(4-Morpholinyl)-4-oxobutanoic acid. Its molecular formula is C8H13NO4 and molecular weight is 187.19. What's more, its IUPAC name is 4-Morpholin-4-yl-4-oxobutanoic acid.
Physical properties about the 4-Morpholin-4-yl-4-oxo-butanoic acid are: (1)ACD/LogP: 0.58; (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): 5.89; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.84 Å2; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 43.65 cm3; (13)Molar Volume: 147.4 cm3; (14)Surface Tension: 51.4 dyne/cm; (15)Density: 1.269 g/cm3; (16)Flash Point: 208 °C; (17)Enthalpy of Vaporization: 73.95 kJ/mol; (18)Boiling Point: 420.3 °C at 760 mmHg; (19)Vapour Pressure: 3.04E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCOCC1)CCC(=O)O
(2) InChI: InChI=1/C8H13NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-6H2,(H,11,12)
(3) InChIKey: OJFWUNYQLGJYEO-UHFFFAOYAM