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441351-32-2

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Basic Information
CAS No.: 441351-32-2
Name: (Z)-Pterostilbene
Article Data: 7
Molecular Structure:
Molecular Structure of 441351-32-2 ((Z)-Pterostilbene)
Formula: C16H16O3
Molecular Weight: 256.301
Synonyms: cis-Pterostilbene;
Density: 1.169 g/cm3
Boiling Point: 420.4 °C at 760 mmHg
Flash Point: 208.1 °C
PSA: 38.69000
LogP: 3.57980
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Specification

The cis-Pterostilbene, its cas register number is 441351-32-2. It also can be called as 4-[(1Z)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol and the Systematic name about this chemical is 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]phenol.

Physical properties about cis-Pterostilbene are: (1)ACD/LogP: 4.13; (2)ACD/LogD (pH 5.5): 4.13; (3)ACD/LogD (pH 7.4): 4.13; (4)ACD/BCF (pH 5.5): 807.23; (5)ACD/BCF (pH 7.4): 805.05; (6)ACD/KOC (pH 5.5): 4192.06; (7)ACD/KOC (pH 7.4): 4180.72; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 27.69Å2; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 78.88 cm3; (14)Molar Volume: 219 cm3; (15) Polarizability: 31.27x10-24cm3; (16)Surface Tension: 45.9 dyne/cm; (17)Enthalpy of Vaporization: 70.04 kJ/mol; (18)Vapour Pressure: 1.15E-07 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1)/C=C\c2ccc(O)cc2)C
(2)InChI: InChI=1/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3-
(3)InChIKey: VLEUZFDZJKSGMX-ARJAWSKDBV
(4)Std. InChI: InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3-
(5)Std. InChIKey: VLEUZFDZJKSGMX-ARJAWSKDSA-N