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(Tetrahydrofuran-3-yl)acetic acid

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Name

(Tetrahydrofuran-3-yl)acetic acid

EINECS N/A
CAS No. 138498-97-2 Density 1.162 g/cm3
PSA 46.53000 LogP 0.49760
Solubility N/A Melting Point N/A
Formula C6H10O3 Boiling Point 271.373 °C at 760 mmHg
Molecular Weight 130.144 Flash Point 117.471 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 138498-97-2 ((TETRAHYDRO-FURAN-3-YL)-ACETIC ACID) Hazard Symbols N/A
Synonyms

2-(tetrahydrofuran-3-yl)acetic acid;

Article Data 2

(Tetrahydrofuran-3-yl)acetic acid Specification

The CAS register number of (Tetrahydrofuran-3-yl)acetic acid is 138498-97-2. It also can be called as 3-Furanacetic acid, tetrahydro- and the IUPAC name about this chemical is 2-(oxolan-3-yl)acetic acid. The molecular formula about this chemical is C6H10O3 and the molecular weight is 130.14.

Physical properties about (Tetrahydrofuran-3-yl)acetic acid are: (1)ACD/LogP: -0.29; (2)ACD/LogD (pH 5.5): -1.25; (3)ACD/LogD (pH 7.4): -3.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.8; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 30.94 cm3; (14)Molar Volume: 111.9 cm3; (15)Polarizability: 12.26x10-24cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Enthalpy of Vaporization: 56.09 kJ/mol; (18)Boiling Point: 271.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00181 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC1CCOC1
(2)InChI: InChI=1/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)
(3)InChIKey: JSWKBJIKVSXWDJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)
(5)Std. InChIKey: JSWKBJIKVSXWDJ-UHFFFAOYSA-N

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