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529-53-3

Basic Information
CAS No.: 529-53-3
Name: 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-(4-hydroxyphenyl)-
Article Data: 69
Cas Database
Molecular Structure:
Molecular Structure of 529-53-3 (4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-(4-hydroxyphenyl)-)
Formula: C15H10O6
Molecular Weight: 286.241
Synonyms: Flavone,4',5,6,7-tetrahydroxy- (7CI,8CI);Scutellarein (6CI);4',5,6,7-Tetrahydroxyflavone;6-Hydroxyapigenin;
EINECS: 1806241-263-5
Density: 1.654g/cm3
Melting Point: 330°C
Boiling Point: 642.9°Cat760mmHg
Flash Point: 249.9°C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 24/25
Transport Information: N/A
PSA: 111.13000
LogP: 2.28240
Synthetic route
19103-54-9

5-hydroxy-4',6,7-trimethoxyflavone

529-53-3

scutellarein

Conditions
ConditionsYield
With hydrogen bromide; acetic acid In water97%
119262-68-9

scutellarein 7-O-β-D-glucuronopyranoside methyl ester

529-53-3

scutellarein

Conditions
ConditionsYield
With sulfuric acid In ethanol; water at 95℃; for 7h; Temperature; Time; Inert atmosphere;96%
With hydrogenchloride In ethanol at 90℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere;92.1%
1168-42-9

5,6,7,4'-tetramethoxyflavone

529-53-3

scutellarein

Conditions
ConditionsYield
With hydrogen bromide; acetic acid at 125℃; for 22h; Temperature; Inert atmosphere;94%
With hydrogen bromide; acetic acid at 120℃; for 24h; Inert atmosphere;90%
With hydrogen iodide
27740-01-8

scutellarin

529-53-3

scutellarein

Conditions
ConditionsYield
With sulfuric acid; water at 20℃; for 0.166667h; Concentration;93%
With sulfuric acid In ethanol; water at 120℃; for 48h; Inert atmosphere;85%
With sulfuric acid In water at 90℃; for 20h;45%
1180-46-7

4,5,6,7-tetra-O-acetylflavone

529-53-3

scutellarein

Conditions
ConditionsYield
With methanol; sulfuric acid for 23h; Reagent/catalyst; Solvent; Temperature; Reflux;92.3%
6938-19-8

6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

529-53-3

scutellarein

Conditions
ConditionsYield
With pyridine hydrochloride at 190 - 200℃; Cooling with ice; Inert atmosphere;86%
With pyridine hydrochloride at 180℃; for 6h; Inert atmosphere;2.6 g
6563-66-2

5,6,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

529-53-3

scutellarein

Conditions
ConditionsYield
With hydrogen bromide; acetic acid for 23h; Heating;82%
15044-65-2

7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

529-53-3

scutellarein

Conditions
ConditionsYield
With hydrogen iodide
6601-66-7

6-demethoxytangeretin

529-53-3

scutellarein

Conditions
ConditionsYield
With hydrogen iodide; acetic anhydride
1447-88-7

hispidulin

529-53-3

scutellarein

Conditions
ConditionsYield
With pyridine hydrochloride for 3h;
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  • Scutellarein CAS NO.529-53-3 CAS NO.529-53-3

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    Scutellarein CAS NO.529-53-3 CAS NO.529-53-3

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Specification

The Scutellarein with cas registry number of 529-53-3, belongs to the following product categorie: Tetra-substituted Flavones. It has the systematic name of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one. And its IUPAC name is 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 40.87; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 468.59; (8)ACD/KOC (pH 7.4): 22.32; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 71.73 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 28.43×10-24cm3; (17)Surface Tension: 92.5 dyne/cm; (18)Enthalpy of Vaporization: 98.33 kJ/mol; (19)Vapour Pressure: 3.97E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C\1c3c(O)c(O)c(O)cc3O/C(=C/1)c2ccc(O)cc2;
(2)InChI: InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H;
(3)InChIKey: JVXZRQGOGOXCEC-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H;
(5)Std. InChIKey: JVXZRQGOGOXCEC-UHFFFAOYSA-N