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CAS No.: | 22106-39-4 |
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Name: | 3-METHOXY-4-NITROACETOPHENONE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H9NO4 |
Molecular Weight: | 195.175 |
Synonyms: | Ethanone, 1-(3-methoxy-4-nitrophenyl)-;3-Methoxy-4-nitroacetophenone; |
Density: | 1.245 g/cm3 |
Melting Point: | 71-73 °C |
Boiling Point: | 321.642 °C at 760 mmHg |
Flash Point: | 152.709 °C |
Hazard Symbols: | Xi |
PSA: | 72.12000 |
LogP: | 2.32920 |
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The Ethanone,1-(3-methoxy-4-nitrophenyl)-, with the CAS registry number of 22106-39-4, is also known as Ethanone, 1-(3-methoxy-4-nitrophenyl)-. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C9H9NO4 and molecular weight is 195.17. What's more, its systematic name is 1-(3-Methoxy-4-nitrophenyl)ethanone.
Physical properties about the Ethanone,1-(3-methoxy-4-nitrophenyl)- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 72.12 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 49.505 cm3; (9)Molar Volume: 156.808 cm3; (10)Surface Tension: 44.327 dyne/cm; (11)Density: 1.245 g/cm3; (12)Flash Point: 152.709 °C; (13)Enthalpy of Vaporization: 56.342 kJ/mol; (14)Boiling Point: 321.642 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1OC)C(=O)C
(2) InChI: InChI=1/C9H9NO4/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2/h3-5H,1-2H3
(3) InChIKey: QGZZCBCLSMAVSE-UHFFFAOYAC