CAS No.138498-97-2,(TETRAHYDRO-FURAN-3-YL)-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138498-97-2
Name:	(TETRAHYDRO-FURAN-3-YL)-ACETIC ACID
Article Data:	2

Formula:	C₆H₁₀O₃
Molecular Weight:	130.144
Synonyms:	2-(tetrahydrofuran-3-yl)acetic acid;
Density:	1.162 g/cm³
Boiling Point:	271.373 °C at 760 mmHg
Flash Point:	117.471 °C
PSA:	46.53000
LogP:	0.49760

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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 C₆H₁₀O₃and 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