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CAS No.: | 142874-81-5 |
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Name: | 2,2,4,6,7-Pentamethyldihydrobenzofuran |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C13H18O |
Molecular Weight: | 190.285 |
Synonyms: | 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran; |
Density: | 0.967g/cm3 |
Boiling Point: | 268.739 °C at 760 mmHg |
Flash Point: | 110.618 °C |
PSA: | 9.23000 |
LogP: | 3.32530 |
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The 2,2,4,6,7-Pentamethyldihydrobenzofuran, with CAS registry number 142874-81-5, has the systematic name of 2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran. Besides this, it is also called benzofuran, 2,3-dihydro-2,2,4,6,7-pentamethyl-. And the chemical formula of this chemical is C13H18O.
Physical properties of 2,2,4,6,7-Pentamethyldihydrobenzofuran: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 59.217 cm3; (9)Molar Volume: 196.808 cm3; (10)Polarizability: 23.475×10-24cm3; (11)Surface Tension: 33.66 dyne/cm; (12)Enthalpy of Vaporization: 48.641 kJ/mol; (13)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O2c1c(c(cc(c1CC2(C)C)C)C)C
(2)InChI: InChI=1/C13H18O/c1-8-6-9(2)11-7-13(4,5)14-12(11)10(8)3/h6H,7H2,1-5H3
(3)InChIKey: YTVLAWLRJVKWCF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H18O/c1-8-6-9(2)11-7-13(4,5)14-12(11)10(8)3/h6H,7H2,1-5H3
(5)Std. InChIKey: YTVLAWLRJVKWCF-UHFFFAOYSA-N