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33852-43-6

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Basic Information
CAS No.: 33852-43-6
Name: 3-METHOXY-2-NITROACETOPHENONE
Article Data: 16
Molecular Structure:
Molecular Structure of 33852-43-6 (3-METHOXY-2-NITROACETOPHENONE)
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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Specification

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