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770-07-0

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Basic Information
CAS No.: 770-07-0
Name: 5-Nitro-3-Furancarboxylic Acid
Molecular Structure:
Molecular Structure of 770-07-0 (5-Nitro-3-Furancarboxylic Acid)
Formula: C5H3NO5
Molecular Weight: 157.083
Synonyms: 3-Furoicacid, 5-nitro- (7CI,8CI);5-Nitro-3-furancarboxylic acid;
Density: 1.626 g/cm3
Boiling Point: 329.895 °C at 760 mmHg
Flash Point: 153.315 °C
PSA: 96.26000
LogP: 1.40920
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Specification

The 3-Furancarboxylic acid, 5-nitro-, with the CAS registry number 770-07-0, is also known as 5-Nitro-3-furoic acid. This chemical's molecular formula is C5H3NO5 and molecular weight is 157.08102. What's more, its systematic name is 5-Nitrofuran-3-carboxylic acid.

Physical properties about 3-Furancarboxylic acid, 5-nitro- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 96.26 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 32.028 cm3; (15)Molar Volume: 96.599 cm3; (16)Polarizability: 12.697×10-24 cm3; (17)Surface Tension: 69.451 dyne/cm; (18)Density: 1.626 g/cm3; (19)Flash Point: 153.315 °C; (20)Enthalpy of Vaporization: 60.423 kJ/mol; (21)Boiling Point: 329.895 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1coc(c1)[N+](=O)[O-]
(2) InChI: InChI=1/C5H3NO5/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)
(3) InChIKey: RYJMQGMUCNUWMK-UHFFFAOYAM