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20784-50-3

Basic Information
CAS No.: 20784-50-3
Name: 2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
Article Data: 8
Cas Database
Molecular Structure:
Molecular Structure of 20784-50-3 (2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-)
Formula: C20H20 O4
Molecular Weight: 324.376
Synonyms: 2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (E)-;Chalcone, 2',4,4'-trihydroxy-3'-(3-methyl-2-butenyl)- (8CI); Corylifolinin;Isobacachalcone; Isobavachalcone
EINECS: N/A
Density: 1.243g/cm3
Melting Point: 156.8-157.8 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point: 549°Cat760mmHg
Flash Point: 299.9°C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 77.76000
LogP: 4.20820
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    Isobavachalcone

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Chemistry

Molecular Structure of Isobavachalcone (CAS No.20784-50-3):
 
Molecular Formula: C20H20O4
Molecular Weight: 324.3704
CAS No: 20784-50-3
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 8
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.658
Molar Refractivity: 96.1 cm3
Molar Volume: 260.8 cm3
Surface Tension: 56.5 dyne/cm
Density: 1.243 g/cm3
Flash Point: 299.9 °C
Enthalpy of Vaporization: 85.97 kJ/mol
Boiling Point: 549 °C at 760 mmHg
Vapour Pressure: 1.15E-12 mmHg at 25°C
IUPAC Name: (E)-1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-
3-(4-hydroxyphenyl)prop-2-en-1-one
InChI: InChI=1/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
InChIKey: DUWPGRAKHMEPCM-IZZDOVSWBB
Std. InChI: InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
Std. InChIKey: DUWPGRAKHMEPCM-IZZDOVSWSA-N

Specification

   Isobavachalcone (CAS No.20784-50-3), its synonyms are (E)-1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one ; (2E)-1-[2,4-Dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one ; 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)- ; 1-[2,4-Dihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-3-(4-hydroxy-phenyl)-propenone  .