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2-Methoxy-6-methyl-3-nitropyridine-4-carboxaldehyde

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Name

2-Methoxy-6-methyl-3-nitropyridine-4-carboxaldehyde

EINECS N/A
CAS No. 221349-79-7 Density 1.339 g/cm3
PSA 85.01000 LogP 1.64250
Solubility N/A Melting Point N/A
Formula C8H8N2O4 Boiling Point 356 °C at 760 mmHg
Molecular Weight 196.163 Flash Point 169.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 221349-79-7 (2-METHOXY-6-METHYL-3-NITROPYRIDINE-4-CARBOXALDEHYDE) Hazard Symbols N/A
Synonyms

2-Methoxy-6-methyl-3-nitro-4-pyridinecarboxaldehyde;

 

2-Methoxy-6-methyl-3-nitropyridine-4-carboxaldehyde Specification

The 2-Methoxy-6-methyl-3-nitropyridine-4-carboxaldehyde, with the CAS registry number 221349-79-7, is also known as 2-Methoxy-6-methyl-3-nitro-4-pyridinecarboxaldehyde and 4-Pyridinecarboxaldehyde, 2-methoxy-6-methyl-3-nitro-. This chemical's molecular formula is C8H8N2O4 and molecular weight is 196.16. What's more, systematic name of 2-Methoxy-6-methyl-3-nitropyridine-4-carboxaldehyde is called 2-Methoxy-6-methyl-3-nitropyridine-4-carbaldehyde. 

Physical properties about this chemical are: (1) ACD/LogP: 1.65; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.65; (4) ACD/LogD (pH 7.4): 1.65; (5) ACD/BCF (pH 5.5): 10.62; (6) ACD/BCF (pH 7.4): 10.62; (7) ACD/KOC (pH 5.5): 188.9; (8) ACD/KOC (pH 7.4): 188.9; (9) #H bond acceptors: 6; (10)#H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 85.01 Å2; (13) Index of Refraction: 1.585; (14)Molar Refractivity: 49.14 cm3; (15) Molar Volume: 146.4 cm3; (16) Surface Tension: 53.6 dyne/cm; (17) Density: 1.339 g/cm3; (18) Flash Point: 169.1 °C; (19) Enthalpy of Vaporization: 60.12 kJ/mol; (20) Boiling Point: 356 °C at 760 mmHg; (21) Vapour Pressure: 3E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(cc(nc1OC)C)C=OCopyCopied
(2) InChI: InChI=1/C8H8N2O4/c1-5-3-6(4-11)7(10(12)13)8(9-5)14-2/h3-4H,1-2H3 CopyCopied
(3) InChIKey: LNPSZMOVBDUHMQ-UHFFFAOYAR

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