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CAS No.: | 2217-35-8 |
---|---|
Name: | Tetrahydrofurfuryl salicylate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H14O4 |
Molecular Weight: | 222.241 |
Synonyms: | Salicylicacid, tetrahydrofurfuryl ester (7CI,8CI);NSC 68484;Tetrahydrofurfurylsalicylate; |
EINECS: | 218-711-1 |
Density: | 1.224 g/cm3 |
Boiling Point: | 334.2 °C at 760 mmHg |
Flash Point: | 126.4 °C |
PSA: | 55.76000 |
LogP: | 1.72800 |
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This chemical is called Tetrahydrofurfuryl salicylate, and its IUPAC name is oxolan-2-ylmethyl 2-hydroxybenzoate. With the molecular formula of C12H14O4, its molecular weight is 222.24. The CAS registry number of this chemical is 2217-35-8.
Other characteristics of the Tetrahydrofurfuryl salicylate can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 29.63; (6)ACD/BCF (pH 7.4): 24.29; (7)ACD/KOC (pH 5.5): 393.32; (8)ACD/KOC (pH 7.4): 322.41; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 57.97 cm3; (15)Molar Volume: 181.5 cm3; (16)Polarizability: 22.98×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 126.4 °C; (20)Enthalpy of Vaporization: 60 kJ/mol; (21)Boiling Point: 334.2 °C at 760 mmHg; (22)Vapour Pressure: 6.71E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC1OCCC1)c2ccccc2O
2.InChI: InChI=1/C12H14O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9,13H,3-4,7-8H2
3.InChIKey: VNDLMXQTZJPTOR-UHFFFAOYAO