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