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2434-00-6

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Basic Information
CAS No.: 2434-00-6
Name: 2-(oxolan-2-yl)acetic acid
Article Data: 18
Molecular Structure:
Molecular Structure of 2434-00-6 (2-(oxolan-2-yl)acetic acid)
Formula: C6H10O3
Molecular Weight: 130.144
Synonyms: 2-(Tetrahydrofuran-2-yl)acetic acid;2-Tetrahydrofuranacetic acid;NSC21831;Tetrahydrofuran-2-ylacetic acid;
Density: 1.162 g/cm3
Boiling Point: 271.4 °C at 760 mmHg
Flash Point: 117.5 °C
PSA: 46.53000
LogP: 0.64010
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Specification

The IUPAC name of Tetrahydro-2-furanylacetic acid is 2-(Oxolan-2-yl)acetic acid. With the CAS registry number 2434-00-6, it is also named as 2-Furanacetic acid,tetrahydro-. The product's molecular formula is C6H10O3 and its molecular weight is 130.14. 

The other characteristics of Tetrahydro-2-furanylacetic acid can be summarized as: (1)ACD/LogP: -0.28; (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): 1.13; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 3; (8)H bond donors: 1; (9)Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.464; (12)Molar Refractivity: 30.94 cm3; (13)Molar Volume: 111.9 cm3; (14)Polarizability: 12.26×10-24cm3; (15)Surface Tension: 45.4 dyne/cm; (16)Density: 1.162 g/cm3; (17)Flash Point: 117.5 °C; (18)Enthalpy of Vaporization: 56.09 kJ/mol; (19)Boiling Point: 271.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00181 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)CC1OCCC1
(2)InChI:InChI=1/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)
(3)InChIKey:IEDVQOXHVRVPIX-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)
(5)Std. InChIKey:IEDVQOXHVRVPIX-UHFFFAOYSA-N