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Methyl tetrahydro-3-furoate

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Name

Methyl tetrahydro-3-furoate

EINECS N/A
CAS No. 53662-85-4 Density 1.109 g/cm3
PSA 35.53000 LogP 0.19590
Solubility N/A Melting Point N/A
Formula C6H10O3 Boiling Point 158.753 °C at 760 mmHg
Molecular Weight 130.14 Flash Point 55.161 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53662-85-4 (Methyl tetrahydro-3-furoate) Hazard Symbols N/A
Synonyms

3-Furancarboxylic acid, tetrahydro-, methyl ester;Methyl tetrahydrofuran-3-carboxylate;

Article Data 12

Methyl tetrahydro-3-furoate Specification

The Methyl tetrahydro-3-furoate, with the CAS registry number 53662-85-4, is also known as 3-Furancarboxylic acid, tetrahydro-, methyl ester. This chemical's molecular formula is C6H10O3 and molecular weight is 130.14. What's more, its systematic name is methyl tetrahydrofuran-3-carboxylate.

Physical properties of Methyl tetrahydro-3-furoate are: (1)ACD/LogP: -0.03; (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): 22; (6)ACD/KOC (pH 7.4): 22; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 31.003 cm3; (13)Molar Volume: 117.372 cm3; (14)Polarizability: 12.29×10-24cm3; (15)Surface Tension: 34.519 dyne/cm; (16)Density: 1.109 g/cm3; (17)Flash Point: 55.161 °C; (18)Enthalpy of Vaporization: 39.54 kJ/mol; (19)Boiling Point: 158.753 °C at 760 mmHg; (20)Vapour Pressure: 2.586 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1COCC1
(2)InChI: InChI=1S/C6H10O3/c1-8-6(7)5-2-3-9-4-5/h5H,2-4H2,1H3
(3)InChIKey: HUTNCRJHLZDGPO-UHFFFAOYSA-N

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