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CAS No.: | 116519-00-7 |
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Name: | (E)-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-Phenol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C17H18O4 |
Molecular Weight: | 286.328 |
Synonyms: | Phenol,4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-, (E)-; |
EINECS: | 1312995-182-4 |
Density: | 1.177 g/cm3 |
Melting Point: | 191 °C(Solv: acetic acid, 80% (64-19-7)) |
Boiling Point: | 440.2 °C at 760 mmHg |
Flash Point: | 220 °C |
Appearance: | white like or light brown crystalline powder |
PSA: | 47.92000 |
LogP: | 3.58840 |
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The Phenol,4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, with its CAS registry number 116519-00-7, has its systematic name of 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol. And it could also be called as (E)-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-Phenol. With its molecular formula of C17H18O4 and molecular weight of 286.32, it should be kept in the cool and dry place.
Physical properties of Phenol,4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 36.92 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 85.56 cm3; (9)Molar Volume: 243 cm3; (10)Polarizability: 33.92×10-24cm3; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.177 g/cm3; (13)Flash Point: 220 °C; (14)Enthalpy of Vaporization: 72.41 kJ/mol; (15)Boiling Point: 440.2 °C at 760 mmHg; (16)Vapour Pressure: 2.33E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c1cc(cc(OC)c1OC)\C=C\c2ccc(O)cc2)C
(2)InChI:InChI=1/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+
(3)InChIKey:PGNACKMMQGBVTN-SNAWJCMRBZ