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Methyl tetrahydro-3-furoate

  • Name Methyl tetrahydro-3-furoate
  • EINECSN/A
  • CAS No. 53662-85-4
  • Density1.109 g/cm3
  • PSA35.53000
  • LogP0.19590
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H10O3
  • Boiling Point158.753 °C at 760 mmHg
  • Molecular Weight130.14
  • Flash Point55.161 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 53662-85-4 (Methyl tetrahydro-3-furoate)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data12

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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