CAS No.117621-06-4,2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117621-06-4
Name:	2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid
Article Data:	2

Formula:	C₁₂H₁₂O₅
Molecular Weight:	236.224
Synonyms:	3-furancarboxylic acid, tetrahydro-2-(2-methoxyphenyl)-5-oxo-;
Density:	1.336g/cm³
Melting Point:	124-125 °C
Boiling Point:	479.1°C at 760mmHg
Flash Point:	190.6°C
Hazard Symbols:
Risk Codes:	R36/37/38
Safety:	S22;S26;S36/37/39
PSA:	72.83000
LogP:	1.38400

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Specification

The 2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid with the cas number 117621-06-4, is also called 3-furancarboxylic acid, tetrahydro-2-(2-methoxyphenyl)-5-oxo-.The properties of the chemical are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -2.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 57.41 cm³; (15)Molar Volume: 176.6 cm³; (16)Polarizability: 22.76×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Enthalpy of Vaporization: 78.3 kJ/mol; (19)Vapour Pressure: 5.47×10^-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:(1)Irritating to eyes, respiratory system and skin; (2)Do not breathe dust; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(c1c(OC)cccc1)C(C(=O)O)C2
(2)InChI: InChI=1/C12H12O5/c1-16-9-5-3-2-4-7(9)11-8(12(14)15)6-10(13)17-11/h2-5,8,11H,6H2,1H3,(H,14,15)