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72918-24-2

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Basic Information
CAS No.: 72918-24-2
Name: 3-Furancarboxaldehyde, 5-nitro
Molecular Structure:
Molecular Structure of 72918-24-2 (3-Furancarboxaldehyde, 5-nitro)
Formula: C5H3NO4
Molecular Weight: 141.083
Synonyms: 5-Nitro-3-furancarboxaldehyde;
Density: 1.474 g/cm3
Boiling Point: 242.151 °C at 760 mmHg
Flash Point: 100.25 °C
PSA: 76.03000
LogP: 1.52350
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Specification

The 3-Furancarboxaldehyde, 5-nitro-, with the CAS registry number 72918-24-2, is also known as 5-Nitro-3-furancarboxaldehyde. It belongs to the product category of Aldehyde. This chemical's molecular formula is C5H3NO4 and molecular weight is 141.08162. What's more, its IUPAC name is 5-Nitrofuran-3-carbaldehyde.

Physical properties about 3-Furancarboxaldehyde, 5-nitro- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.507; (4)ACD/LogD (pH 7.4): 0.507; (5)ACD/BCF (pH 5.5): 1.429; (6)ACD/BCF (pH 7.4): 1.429; (7)ACD/KOC (pH 5.5): 44.945; (8)ACD/KOC (pH 7.4): 44.945; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.03 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 31.851 cm3; (15)Molar Volume: 95.736 cm3; (16)Polarizability: 12.627×10-24 cm3; (17)Surface Tension: 55.918 dyne/cm; (18)Density: 1.474 g/cm3; (19)Flash Point: 100.25 °C; (20)Enthalpy of Vaporization: 47.913 kJ/mol; (21)Boiling Point: 242.151 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(coc1N(=O)=O)C=O
(2) InChI: InChI=1/C5H3NO4/c7-2-4-1-5(6(8)9)10-3-4/h1-3H
(3) InChIKey: PCQKABFOXHZRBL-UHFFFAOYAW