Name: (6-HYDROXY-BENZOFURAN-3-YL)-ACETIC ACID METHYL ESTER
SKU: 726174-52-3

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Basic Information

Molecular Structure:
CAS No.:	726174-52-3
Name:	(6-HYDROXY-BENZOFURAN-3-YL)-ACETIC ACID METHYL ESTER
Article Data:	2

Formula:	C₁₁H₁₀O₄
Molecular Weight:	206.198
Synonyms:	Methyl 2-(6-hydroxy-1-benzofuran-3-ylidene)acetate;
Density:	1.4±0.1 g/cm³
Boiling Point:	376.4±42.0 °C at 760 mmHg
Flash Point:	151.3±21.4 °C
PSA:	55.76000
LogP:	1.34100

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Specification

The Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate, with the CAS registry number 726174-52-3, is also known as Methyl (6-hydroxy-1-benzofuran-3(2H)-ylidene)acetate. This chemical's molecular formula is C₁₁H₁₀O₄ and molecular weight is 206.06. What's more, its IUPAC name is called Methyl 2-(6-hydroxy-1-benzofuran-3-ylidene)acetate.

Physical properties about Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate are: (1)ACD/LogP: 1.97±0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.51; (6)ACD/BCF (pH 7.4): 18.25; (7)ACD/KOC (pH 5.5): 281.02; (8)ACD/KOC (pH 7.4): 277.13; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.76 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 54.6±0.3 cm³; (15)Molar Volume: 145.2±3.0 cm³; (16)Polarizability: 21.6±0.5×10^-24cm³; (17)Surface Tension: 68.4±3.0 dyne/cm; (18)Density: 1.4±0.1 g/cm³; (19)Flash Point: 151.3±21.4 °C; (20)Enthalpy of Vaporization: 64.8±3.0 kJ/mol; (21)Boiling Point: 376.4±42.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C=C1COc2c1ccc(c2)O
(2) InChI: InChI=1S/C11H10O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-5,12H,6H2,1H3
(3) InChIKey: WAYZUAFLMLFPIM-UHFFFAOYSA-N