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22694-55-9

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Basic Information
CAS No.: 22694-55-9
Name: 2,5-DIHYDRO-FURAN-2-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 22694-55-9 (2,5-DIHYDRO-FURAN-2-CARBOXYLIC ACID)
Formula: C5H6O3
Molecular Weight: 114.101
Synonyms: 2,5-Dihydro-2-furancarboxylic acid;2,5-Dihydro-2-furoic acid;2-Furoicacid, 2,5-dihydro- (7CI,8CI);
Density: 1.337 g/cm3
Boiling Point: 256.717 °C at 760 mmHg
Flash Point: 117.285 °C
PSA: 46.53000
LogP: 0.02600
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Specification

The 2-Furancarboxylic acid, 2, 5-dihydro-, with the CAS registry number 22694-55-9, is also known as 2, 5-Dihydro-furan-2-carboxylic acid. This chemical's molecular formula is C5H6O3 and molecular weight is 114.1. What's more, its IUPAC name is 2, 5-Dihydrofuran-2-carboxylic acid.

Physical properties about 2-Furancarboxylic acid, 2, 5-dihydro- are: (1)ACD/LogP: -0.85; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 25.763 cm3; (13)Molar Volume: 85.302 cm3; (14)Polarizability: 10.213×10-24 cm3; (15)Surface Tension: 51.672 dyne/cm; (16)Density: 1.338 g/cm3; (17)Flash Point: 117.285 °C; (18)Enthalpy of Vaporization: 54.416 kJ/mol; (19)Boiling Point: 256.717 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1/C=C\CO1
(2) InChI: InChI=1/C5H6O3/c6-5(7)4-2-1-3-8-4/h1-2,4H,3H2,(H,6,7)
(3) InChIKey: WZYOOTIVROCFMO-UHFFFAOYAI