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29700-22-9

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Basic Information
CAS No.: 29700-22-9
Name: 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Article Data: 19
Molecular Structure:
Molecular Structure of 29700-22-9 (4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol)
Formula: C14H12O4
Molecular Weight: 244.247
Synonyms: 4-[(E)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol;
EINECS: 300-008-4
Density: 1.468 g/cm3
Melting Point: 201oC
Boiling Point: 523.8 °C at 760 mmHg
Flash Point: 260.9 °C
Appearance: Yellow Solid
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26-24/25
PSA: 80.92000
LogP: 2.67940
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  • 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

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    4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

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Chemistry

Molecule structure of 1,3-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, (E)- (CAS NO.29700-22-9):

IUPAC Name: 4-[(E)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol 
Molecular Weight: 244.24268 g/mol
Molecular Formula: C14H12O4 
Density: 1.468 g/cm3 
Boiling Point: 523.8 °C at 760 mmHg 
Flash Point: 260.9 °C
Index of Refraction: 1.8
Molar Refractivity: 71.17 cm3
Molar Volume: 166.3 cm3
Polarizability: 28.21×10-24 cm3
Surface Tension: 82.9 dyne/cm 
Enthalpy of Vaporization: 82.75 kJ/mol
Vapour Pressure: 1.37E-11 mmHg at 25 °C
XLogP3-AA: 2.8
H-Bond Donor: 4
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 75
Exact Mass: 244.073559
MonoIsotopic Mass: 244.073559
Topological Polar Surface Area: 80.9
Heavy Atom Count: 18
Complexity: 282
Canonical SMILES: C1=CC(=C(C=C1O)O)C=CC2=CC(=CC(=C2)O)O
Isomeric SMILES: C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O)O
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/b2-1+
InChIKey: PDHAOJSHSJQANO-OWOJBTEDSA-N

Uses

 1,3-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, (E)- (CAS NO.29700-22-9) is antioxidants. It have anti-inflammatory, antithrombotic, anti-cancer, anti-cancer, anti-hyperlipidemia, anti-bacterial activity.