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Acetic acid,2-[(2-furanylmethyl)sulfinyl]- (108499-26-9)

Identification
Name:Acetic acid,2-[(2-furanylmethyl)sulfinyl]-
Synonyms:Aceticacid, [(2-furanylmethyl)sulfinyl]- (9CI);2-(Furfurylsulfinyl)acetic acid;
CAS:108499-26-9
Molecular Formula: C7H8O4S
Molecular Weight: 188.2
InChI: InChI=1/C7H8O4S/c8-7(9)5-12(10)4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9)
Molecular Structure: (C7H8O4S) Aceticacid, [(2-furanylmethyl)sulfinyl]- (9CI);2-(Furfurylsulfinyl)acetic acid;
Properties
Flash Point: 471.2 °C at 760 mmHg
Boiling Point: 471.2 °C at 760 mmHg
Density:1.497 g/cm3
Refractive index:1.602
Solubility:471.2 °C at 760 mmHg
Specification:

The 2-[(2-Furanylmethyl)sulfinyl]acetic acid, with the CAS registry number 108499-26-9, is also known as Acetic acid, 2-[(2-furanylmethyl)sulfinyl]-. This chemical's molecular formula is C7H8O4S and molecular weight is 188.20. Its systematic name is called 2-(2-furylmethylsulfinyl)acetic acid.

Physical properties about this chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 86.72 Å2; (5)Index of Refraction: 1.602; (6)Molar Refractivity: 43.16 cm3; (7)Molar Volume: 125.6 cm3; (8)Surface Tension: 75.4 dyne/cm; (9)Density: 1.497 g/cm3; (10)Flash Point: 238.8 °C; (11)Enthalpy of Vaporization: 77.32 kJ/mol; (12)Boiling Point: 471.2 °C at 760 mmHg; (13)Vapour Pressure: 1.1E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(oc1)CS(=O)CC(=O)O
(2)InChI: InChI=1/C7H8O4S/c8-7(9)5-12(10)4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9)
(3)InChIKey: BMFMTNROJASFBW-UHFFFAOYAD

Flash Point: 471.2 °C at 760 mmHg
Safety Data
 

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