Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(Z)-4-Morpholin-4-yl-4-oxobut-2-enoic acid |
EINECS | N/A |
CAS No. | 52736-33-1 | Density | 1.313 g/cm3 |
PSA | 66.84000 | LogP | -0.57610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11NO4 | Boiling Point | 434.583 °C at 760 mmHg |
Molecular Weight | 185.18 | Flash Point | 216.628 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2Z)-4-(Morpholin-4-yl)-4-oxobut-2-enoic acid;2-Butenoic acid, 4-(4-morpholinyl)-4-oxo-, (2Z)-; |
Article Data | 4 |
This chemical is called (Z)-4-Morpholin-4-yl-4-oxobut-2-enoic acid, and it can also be named as 2-Butenoic acid, 4-(4-morpholinyl)-4-oxo-, (2Z)-. The molecular formula of this chemical is C8H11NO4. The CAS registry number of this chemical is 52736-33-1, and its systematic name is (2Z)-4-(Morpholin-4-yl)-4-oxobut-2-enoic acid.
Other characteristics of the (Z)-4-Morpholin-4-yl-4-oxobut-2-enoic acid can be summarised as followings: (1)ACD/LogP: -1.49; (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: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 66.84 Å2; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 43.712 cm3; (13)Molar Volume: 141.064 cm3; (14)Polarizability: 17.329×10-24 cm3; (15)Surface Tension: 54.037 dyne/cm; (16)Density: 1.313 g/cm3; (17)Flash Point: 216.628 °C; (18)Enthalpy of Vaporization: 75.739 kJ/mol; (19)Boiling Point: 434.583 °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=C(/C=C\C(O)=O)N1CCOCC1
2.InChI: InChI=1/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/b2-1-
3.InChIKey: FCTFTKXWJQFGLI-UPHRSURJBZ