-
Name
cis Resveratrol
- EINECS
- CAS No. 61434-67-1
- Article Data44
- CAS DataBase
- Density 1.359 g/cm3
- Solubility
- Melting Point 167-170°C
- Formula C14H12O3
- Boiling Point 449.1 °C at 760 mmHg
- Molecular Weight 228.247
- Flash Point 222.4 °C
- Transport Information
- Appearance Off-White Solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (Z)-Resveratrol;1,3-benzenediol, 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-;Resveratrol, Z-;
- PSA 60.69000
- LogP 2.97380
cis-Resveratrol Specification
The cis-Resveratrol with the CAS number 61434-67-1 is alos called (Z)-Resveratrol. Both the systematic name and IUPAC name are 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol. Its molecular formula is C14H12O3. This chemical belongs to the following product categories: (1)Inhibitors; (2)Intermediates & Fine Chemicals; (3)Pharmaceuticals.
The properties of the chemical are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 143.19; (6)ACD/BCF (pH 7.4): 140.74; (7)ACD/KOC (pH 5.5): 1215.59; (8)ACD/KOC (pH 7.4): 1194.74; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 69.29 cm3; (15)Molar Volume: 167.9 cm3; (16)Polarizability: 27.46×10-24cm3; (17)Surface Tension: 70.7 dyne/cm; (18)Enthalpy of Vaporization: 73.5 kJ/mol; (19)Vapour Pressure: 1.11×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cc(\C=C/c1ccc(O)cc1)cc(O)c2
(2)InChI: InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-
(3)InChIKey: LUKBXSAWLPMMSZ-UPHRSURJBV
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