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603999-19-5

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Basic Information
CAS No.: 603999-19-5
Name: 3-Furancarboxylic acid, 5-formyl- (9CI)
Molecular Structure:
Molecular Structure of 603999-19-5 (3-Furancarboxylic acid, 5-formyl- (9CI))
Formula: C6H4O4
Molecular Weight: 140.09356
Synonyms: 5-Formyl-3-furoic acid;
Density: 1.453 g/cm3
Boiling Point: 354.235 °C at 760 mmHg
Flash Point: 168.036 °C
PSA: 67.51000
LogP: 0.79030
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Specification

The 3-Furancarboxylic acid, 5-formyl- (9CI), with the CAS registry number 603999-19-5, is also known as 5-Formyl-3-furoic acid. It belongs to the product category of Aldehyde. This chemical's molecular formula is C6H4O4 and molecular weight is 140.09356. What's more, its IUPAC name is 5-Formylfuran-3-carboxylic acid.

Physical properties about 3-Furancarboxylic acid, 5-formyl- (9CI) are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.51 Å2; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 32.235 cm3; (13)Molar Volume: 96.423 cm3; (14)Polarizability: 12.779×10-24 cm3; (15)Surface Tension: 60.069 dyne/cm; (16)Density: 1.453 g/cm3; (17)Flash Point: 168.036 °C; (18)Enthalpy of Vaporization: 63.235 kJ/mol; (19)Boiling Point: 354.235 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(coc1C=O)C(=O)O
(2) InChI: InChI=1/C6H4O4/c7-2-5-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)
(3) InChIKey: IRYKMSRWDXXLJL-UHFFFAOYAL