4-[2-(3,5-Dihydroxyphenyl)vinyl]-1,3-benzenediol supplier

Name
puag-haad
EINECS
CAS No. 4721-07-7
Article Data19
CAS DataBase
Density 1.468 g/cm³
Solubility
Melting Point 190-192℃
Formula C₁₄H₁₂O₄
Boiling Point 523.759 °C at 760 mmHg
Molecular Weight 244.247
Flash Point 260.818 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2',3,4',5-Stilbenetetrol;3,5,2',4'-Tetrahydroxystilbene;2,3',4,5'-Stilbenetetrol(6CI,7CI,8CI);2,4,3',5'-Tetrahydroxystilbene;
PSA 80.92000
LogP 2.67940

4-[2-(3,5-Dihydroxyphenyl)vinyl]-1,3-benzenediol Specification

The 1,3-Benzenediol,4-[2-(3,5-dihydroxyphenyl)ethenyl]-, with the CAS registry number 4721-07-7, is also known as Puag-haad. This chemical's molecular formula is C₁₄H₁₂O₄ and molecular weight is 244.07. What's more, its systematic name is called 4-[2-(3,5-Dihydroxyphenyl)vinyl]-1,3-benzenediol.

Physical properties about 1,3-Benzenediol,4-[2-(3,5-dihydroxyphenyl)ethenyl]- are: (1)ACD/LogP: 2.551; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 51.12; (6)ACD/BCF (pH 7.4): 49.36; (7)ACD/KOC (pH 5.5): 581.54; (8)ACD/KOC (pH 7.4): 561.46; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 80.92 Å²; (13)Index of Refraction: 1.801; (14)Molar Refractivity: 71.173 cm³; (15)Molar Volume: 166.36 cm³; (16)Polarizability: 28.215×10^-24cm³; (17)Surface Tension: 82.919 dyne/cm; (18)Density: 1.468 g/cm³; (19)Flash Point: 260.818 °C; (20)Enthalpy of Vaporization: 82.752 kJ/mol; (21)Boiling Point: 523.759 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc2cc(O)ccc2C=Cc1cc(O)cc(O)c1
(2) InChI: InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H
(3) InChIKey: PDHAOJSHSJQANO-UHFFFAOYSA-N

Product Name

puag-haad

4-[2-(3,5-Dihydroxyphenyl)vinyl]-1,3-benzenediol Specification

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