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CAS No.: | 78916-49-1 |
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Name: | 3,5-DIMETHOXYSTILBENE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C16H16O2 |
Molecular Weight: | 240.302 |
Synonyms: | 1,3-Dimethoxy-5-(2-phenylethenyl)benzene;3,5-Dimethoxystilbene; |
Density: | 1.089 g/cm3 |
Melting Point: | 56 °C |
Boiling Point: | 376.5 °C at 760 mmHg |
Flash Point: | 150.7 °C |
PSA: | 18.46000 |
LogP: | 3.87420 |
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The Benzene,1,3-dimethoxy-5-(2-phenylethenyl)-, with the CAS registry number 78916-49-1, is also known as 3,5-Dimethoxystilbene. It belongs to the product category of Stilbenes. This chemical's molecular formula is C16H16O2 and molecular weight is 240.30. What's more, its systematic name is 1,3-dimethoxy-5-(2-phenylethenyl)benzene.
Physical properties of Benzene,1,3-dimethoxy-5-(2-phenylethenyl)- are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2063.58; (6)ACD/BCF (pH 7.4): 2063.58; (7)ACD/KOC (pH 5.5): 8207.34; (8)ACD/KOC (pH 7.4): 8207.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 77 cm3; (15)Molar Volume: 220.6 cm3; (16)Polarizability: 30.52×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.089 g/cm3; (19)Flash Point: 150.7 °C; (20)Enthalpy of Vaporization: 59.97 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1)\C=C\c2ccccc2)C
(2)Std. InChI: InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
(3)Std. InChIKey: BIYGTLDPTJMNET-CMDGGOBGSA-N