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CAS No.: | 134029-62-2 |
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Name: | 3,4,5,4'-TETRAMETHOXYSTILBENE |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C18H20O4 |
Molecular Weight: | 300.354 |
Synonyms: | Benzene,1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-,(E)-;DMU 212; |
EINECS: | 1312995-182-4 |
Density: | 1.118 g/cm3 |
Melting Point: | 157-159 °C |
Boiling Point: | 444.027 °C at 760 mmHg |
Flash Point: | 144.057 °C |
PSA: | 36.92000 |
LogP: | 3.89140 |
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The Benzene,1,2,3-trimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-, with the CAS registry number 134029-62-2, is also known as (E)-1,2,3-Trimethoxy-5-[2-(4-methoxyphenyl)ethenyl]benzene. This chemical's molecular formula is C18H20O4 and molecular weight is 300.349. What's more, its systematic name is called 1,2,3-Trimethoxy-5-[(E)-2-(4-methoxyphenyl)vinyl]benzene.
Physical properties about Benzene,1,2,3-trimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]- are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.401; (4)ACD/LogD (pH 7.4): 3.401; (5)ACD/BCF (pH 5.5): 226.293; (6)ACD/BCF (pH 7.4): 226.293; (7)ACD/KOC (pH 5.5): 1686.865; (8)ACD/KOC (pH 7.4): 1686.865; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 90.361 cm3; (15)Molar Volume: 268.65 cm3; (16)Surface Tension: 38.372 dyne/cm; (17)Density: 1.118 g/cm3; (18)Flash Point: 144.057 °C; (19)Enthalpy of Vaporization: 67.475 kJ/mol; (20)Boiling Point: 444.027 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1)/C=C/c2cc(c(c(c2)OC)OC)OC
(2) InChI: InChI=1/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5+
(3) InChIKey: GGFQQRXTLIJXNY-AATRIKPKBV