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54280-70-5

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Basic Information
CAS No.: 54280-70-5
Name: 3-FURYL(OXO)ACETIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 54280-70-5 (3-FURYL(OXO)ACETIC ACID)
Formula: C6H4O4
Molecular Weight: 140.09
Synonyms: 3-Furylglyoxylicacid;
Density: 1.423 g/cm3
Boiling Point: 235 °C at 760 mmHg
Flash Point: 95.9 °C
PSA: 67.51000
LogP: 0.54690
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Specification

The 3-Furanacetic acid, a-oxo-, with the CAS registry number 54280-70-5, is also known as α-Oxo-3-furanacetic acid. This chemical's molecular formula is C6H4O4 and molecular weight is 140.09. What's more, its systematic name is called Furan-3-yl(oxo)acetic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.44; (4)ACD/LogD (pH 7.4): -3.89; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.51Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 30.14 cm3; (15)Molar Volume: 98.3 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.423 g/cm3; (18)Flash Point: 95.9 °C; (19)Enthalpy of Vaporization: 49.85 kJ/mol; (20)Boiling Point: 235 °C at 760 mmHg; (21)Vapour Pressure: 0.0283 mmHg at 25 °C.

Uses of 3-Furanacetic acid, a-oxo-: it is used to produce other chemicals. For example, it is used to produce 3-Furfurylglyoxuc acid semicarbazone.

The reaction occurs with solvent Ethanol, H2O and other condition of heating for 1 hour at temperature of -5 °C. The yield is 37%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(=O)c1ccoc1
(2) InChI: InChI=1/C6H4O4/c7-5(6(8)9)4-1-2-10-3-4/h1-3H,(H,8,9)
(3) InChIKey: ICMJIOARABGYHC-UHFFFAOYAJ