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CAS No.: | 28190-63-8 |
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Name: | 5,5-dinitro-5-(3-nitrophenyl)pentan-2-one |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H11N3O7 |
Molecular Weight: | 297.22 |
Synonyms: | 2-Pentanone,5,5-dinitro-5-(m-nitrophenyl)- (8CI);NSC 76722;5,5-Dinitro-5-(3-nitrophenyl)pentan-2-one; |
Density: | 1.434 g/cm3 |
Boiling Point: | 452.3 °C at 760 mmHg |
Flash Point: | 219.7 °C |
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The 2-Pentanone,5,5-dinitro-5-(3-nitrophenyl)-, with the CAS registry number 28190-63-8, is also known as 2-Pentanone,5,5-dinitro-5-(m-nitrophenyl)-. This chemical's molecular formula is C11H11N3O7 and molecular weight is 297.22. What's more, its systematic name is 5,5-Dinitro-5-(3-nitrophenyl)pentan-2-one.
Physical properties of 2-Pentanone,5,5-dinitro-5-(3-nitrophenyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 154.53 Å2; (7)Index of Refraction: 1.569; (8)Molar Refractivity: 67.89 cm3; (9)Molar Volume: 207.1 cm3; (10)Polarizability: 26.91×10-24 cm3; (11)Surface Tension: 58.4 dyne/cm; (12)Density: 1.434 g/cm3; (13)Flash Point: 219.7 °C; (14)Enthalpy of Vaporization: 71.15 kJ/mol; (15)Boiling Point: 452.3 °C at 760 mmHg; (16)Vapour Pressure: 2.27E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C([N+]([O-])=O)(c1cccc(c1)[N+]([O-])=O)CCC(=O)C
(2)InChI: InChI=1S/C11H11N3O7/c1-8(15)5-6-11(13(18)19,14(20)21)9-3-2-4-10(7-9)12(16)17/h2-4,7H,5-6H2,1H3
(3)InChIKey: FQIRKUCWLRHXIU-UHFFFAOYSA-N