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CAS No.: | 5470-58-6 |
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Name: | ethyl (2Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C12H10N2O4 |
Molecular Weight: | 246.222 |
Synonyms: | Ethyl (2Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate; |
Density: | 1.306 g/cm3 |
Boiling Point: | 414.9 °C at 760 mmHg |
Flash Point: | 204.7 °C |
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The Ethyl (Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate, with the CAS registry number 5470-58-6, is also known as 2-Propenoic acid, 2-cyano-3-(2-nitrophenyl)-, ethyl ester, (2Z)-. This chemical's molecular formula is C12H10N2O4 and molecular weight is 246.2188. What's more, its systematic name is Ethyl (2Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate.
Physical properties about Ethyl (Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.64; (6)ACD/BCF (pH 7.4): 16.64; (7)ACD/KOC (pH 5.5): 260.49; (8)ACD/KOC (pH 7.4): 260.49; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 95.91 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 64.11 cm3; (15)Molar Volume: 188.4 cm3; (16)Polarizability: 25.41×10-24 cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 204.7 °C; (20)Enthalpy of Vaporization: 66.79 kJ/mol; (21)Boiling Point: 414.9 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccccc1\C=C(\C#N)C(=O)OCC
(2) InChI: InChI=1/C12H10N2O4/c1-2-18-12(15)10(8-13)7-9-5-3-4-6-11(9)14(16)17/h3-7H,2H2,1H3/b10-7-
(3) InChIKey: CZPQZBRWWGSHSL-YFHOEESVBS