3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one supplier

Name
ARTEMISININ
EINECS 207-738-4
CAS No. 491-54-3
Article Data17
CAS DataBase
Density 1.539 g/cm³
Solubility
Melting Point 156-157 °C(lit.)
Formula C₁₆H₁₂O₆
Boiling Point 543.8 °C at 760 mmHg
Molecular Weight 300.268
Flash Point 207.1 °C
Transport Information
Appearance
Safety 24/25
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols
Synonyms Flavone,3,5,7-trihydroxy-4'-methoxy- (7CI,8CI);4'-Methoxykaempferol;4'-Methylkaempferol;4'-O-Methylkaempferol;Kaempferol4'-O-methyl ether;Kaempferol 4'-methyl ether;NSC 407294;
PSA 100.13000
LogP 2.58540

3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one Specification

The 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-methoxyphenyl)- is an organic compound with the formula C₁₆H₁₂O₆. The IUPAC name of this chemical is 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one. With the CAS registry number 491-54-3, it is also named as 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone.

Physical properties about 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 1.42; (4)ACD/BCF (pH 5.5): 60.87; (5)ACD/BCF (pH 7.4): 3.43; (6)ACD/KOC (pH 5.5): 628.96; (7)ACD/KOC (pH 7.4): 35.47; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 63.22 Å²; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 76.23 cm³; (14)Molar Volume: 195.1 cm³; (15)Polarizability: 30.22×10^-24cm³; (16)Surface Tension: 77 dyne/cm; (17)Density: 1.538 g/cm³; (18)Flash Point: 207.1 °C; (19)Enthalpy of Vaporization: 85.3 kJ/mol; (20)Boiling Point: 543.8 °C at 760 mmHg; (21)Vapour Pressure: 1.94E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O/C(=C1/O)c2ccc(OC)cc2)cc(O)cc3O
(2)InChI: InChI=1/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
(3)InChIKey: SQFSKOYWJBQGKQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
(5)Std. InChIKey: SQFSKOYWJBQGKQ-UHFFFAOYSA-N

Product Name

ARTEMISININ

3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one Specification

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