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221349-76-4

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Basic Information
CAS No.: 221349-76-4
Name: 2-METHOXY-3-NITROPYRIDINE-4-CARBOXALDEHYDE
Molecular Structure:
Molecular Structure of 221349-76-4 (2-METHOXY-3-NITROPYRIDINE-4-CARBOXALDEHYDE)
Formula: C7H6N2O4
Molecular Weight: 182.1335
Synonyms: 2-Methoxy-3-nitro-4-pyridinecarboxaldehyde;
Density: 1.399 g/cm3
Boiling Point: 338.8 °C at 760 mmHg
Flash Point: 158.7 °C
PSA: 85.01000
LogP: 1.33410
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Specification

The 2-Methoxy-3-nitropyridine-4-carboxaldehyde is an organic compound with the formula C7H6N2O4. The systematic name of this chemical is 2-methoxy-3-nitropyridine-4-carbaldehyde. With the CAS registry number 221349-76-4, it is also named as 2-Methoxy-3-nitro-4-pyridinecarboxaldehyde.

Physical properties about 2-Methoxy-3-nitropyridine-4-carboxaldehyde are: (1)ACD/LogP: 1.19; (2)ACD/LogD (pH 5.5): 1.19; (3)ACD/LogD (pH 7.4): 1.19; (4)ACD/BCF (pH 5.5): 4.75; (5)ACD/BCF (pH 7.4): 4.75; (6)ACD/KOC (pH 5.5): 106.16; (7)ACD/KOC (pH 7.4): 106.16; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 85.01 Å2; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 44.32 cm3; (13)Molar Volume: 130.1 cm3; (14)Polarizability: 17.57×10-24cm3; (15)Surface Tension: 57.6 dyne/cm; (16)Density: 1.399 g/cm3; (17)Flash Point: 158.7 °C; (18)Enthalpy of Vaporization: 58.22 kJ/mol; (19)Boiling Point: 338.8 °C at 760 mmHg; (20)Vapour Pressure: 9.56E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccnc1OC)C=O
(2)InChI: InChI=1/C7H6N2O4/c1-13-7-6(9(11)12)5(4-10)2-3-8-7/h2-4H,1H3
(3)InChIKey: ATPIZGMDDYXDKM-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6N2O4/c1-13-7-6(9(11)12)5(4-10)2-3-8-7/h2-4H,1H3
(5)Std. InChIKey: ATPIZGMDDYXDKM-UHFFFAOYSA-N