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| CAS No.: | 10083-24-6 |
|---|---|
| Name: | PICEATANNOL |
| Molecular Structure: | |
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| Formula: | C14H12O4 |
| Molecular Weight: | 244.247 |
| Synonyms: | 1,2-Benzenediol,4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-;3,3',4,5'-Stilbenetetrol, (E)-(8CI);Piceatannol (6CI);(E)-Piceatannol;Astringenin;trans-3,3',4,5'-Tetrahydroxystilbene; |
| EINECS: | 600-132-4 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 223-227 °C |
| Boiling Point: | 507.277 °C at 760 mmHg |
| Flash Point: | 252.174 °C |
| Solubility: | 0.5 mg/mL in water |
| Appearance: | light tan to yellow powder |
| Safety: | 24/25 |
| PSA: | 80.92000 |
| LogP: | 2.67940 |
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Specification
The cas register number of trans-Piceatannol is 10083-24-6. It also can be called as 3,4,3',5'-Tetrahydroxy-trans-stilbene and the IUPAC Name about this chemical is -[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol. It belongs to the following product categories, such as Stilbenes (substituted), Protein Kinase and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about trans-Piceatannol are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.68; (4)ACD/BCF (pH 5.5): 64.92; (5)ACD/BCF (pH 7.4): 63.17; (6)ACD/KOC (pH 5.5): 690.03; (7)ACD/KOC (pH 7.4): 671.48; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 36.92Å2; (12)Index of Refraction: 1.8; (13)Molar Refractivity: 71.17 cm3; (14)Molar Volume: 166.3 cm3; (15)Polarizability: 28.21x10-24cm3; (16)Surface Tension: 82.9 dyne/cm; (17)Enthalpy of Vaporization: 80.68 kJ/mol; (18)Boiling Point: 507.3 °C at 760 mmHg; (19)Vapour Pressure: 6.51E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
(2)InChI: InChI=1/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
(3)InChIKey: CDRPUGZCRXZLFL-OWOJBTEDBC
(4)Std. InChI: InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
(5)Std. InChIKey: CDRPUGZCRXZLFL-OWOJBTEDSA-N