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| CAS No.: | 19377-73-2 |
|---|---|
| Name: | alpha-hydroxyfuran-2-acetic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H6O4 |
| Molecular Weight: | 142.111 |
| Synonyms: | 2-Furanglycolicacid (8CI);2-(2-Furyl)glycolic acid;2-Hydroxy-2-(2-furanyl)ethanoic acid; |
| EINECS: | 243-006-0 |
| Density: | 1.451 g/cm3 |
| Melting Point: | 114 °C |
| Boiling Point: | 266.5 °C at 760 mmHg |
| Flash Point: | 114.9 °C |
| PSA: | 70.67000 |
| LogP: | 0.39760 |
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Specification
The 2-Furanacetic acid, a-hydroxy-, with the CAS registry number 19377-73-2, is also known as 2-Furyl(hydroxy)acetic acid. Its EINECS registry number is 243-006-0. This chemical's molecular formula is C6H6O4 and molecular weight is 142.10944. What's more, its IUPAC name is 2-(Furan-2-yl)-2-hydroxyacetic acid.
Physical properties about 2-Furanacetic acid, a-hydroxy- are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.53; (4)ACD/LogD (pH 7.4): -3.6; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.67 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 31.2 cm3; (15)Molar Volume: 97.9 cm3; (16)Polarizability: 12.37×10-24 cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 114.9 °C; (20)Enthalpy of Vaporization: 53.29 kJ/mol; (21)Boiling Point: 266.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0043 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)c1occc1
(2) InChI: InChI=1/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)
(3) InChIKey: RTLDJXGEOSVJEX-UHFFFAOYAC