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CAS No.: | 33852-43-6 |
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Name: | 3-METHOXY-2-NITROACETOPHENONE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H9NO4 |
Molecular Weight: | 195.175 |
Synonyms: | Ethanone, 1-(3-Methoxy-2-nitrophenyl)- |
Density: | 1.244 g/cm3 |
Melting Point: | 128.5-129.5 °C |
Boiling Point: | 331.9 °C at 760 mmHg |
Flash Point: | 159.6 °C |
PSA: | 72.12000 |
LogP: | 2.32920 |
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The CAS registry number of Ethanone, 1-(3-methoxy-2-nitrophenyl)- is 33852-43-6. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical is also named as 1-Acetyl-3-methoxy-2-nitrobenzene. In addition, its molecular formula is C9H9NO4 and molecular weight is 195.1721. Its systematic name is called 1-(3-methoxy-2-nitrophenyl)ethanone.
Physical properties about Ethanone, 1-(3-methoxy-2-nitrophenyl)- are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.95; (6)ACD/BCF (pH 7.4): 5.95; (7)ACD/KOC (pH 5.5): 124.74; (8)ACD/KOC (pH 7.4): 124.74; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 49.5 cm3; (14)Molar Volume: 156.8 cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.244 g/cm3; (17)Flash Point: 159.6 °C; (18)Enthalpy of Vaporization: 57.46 kJ/mol; (19)Boiling Point: 331.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000151 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cccc1OC)C(=O)C
(2)InChI: InChI=1/C9H9NO4/c1-6(11)7-4-3-5-8(14-2)9(7)10(12)13/h3-5H,1-2H3
(3)InChIKey: PVWNRLOVUZOZMF-UHFFFAOYAY