4H-1-Benzopyran-4-one,3-hydroxy-2-(4-methoxyphenyl)- supplier

Name
4'-METHOXYFLAVONOL
EINECS
CAS No. 6889-78-7
Article Data51
CAS DataBase
Density 1.353 g/cm³
Solubility
Melting Point 233-234 °C
Formula C₁₆H₁₂O₄
Boiling Point 426.7 °C at 760 mmHg
Molecular Weight 268.269
Flash Point 160.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms NSC 102030;4'-Methoxyflavonol;M 3HF;4'-Methoxy-3-flavonol;3-Hydroxy-4'-methoxyflavone;Flavone,3-hydroxy-4'-methoxy- (7CI,8CI);
PSA 59.67000
LogP 3.17420

4H-1-Benzopyran-4-one,3-hydroxy-2-(4-methoxyphenyl)- Specification

This chemical is called 4H-1-Benzopyran-4-one,3-hydroxy-2-(4-methoxyphenyl)-, and its systematic name is 3-Hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one. With the molecular formula of C₁₆H₁₂O₄, its molecular weight is 268.26. The CAS registry number of the chemical is 6889-78-7. Additionally, its product category is Di-substituted Flavones.

Other characteristics of 4H-1-Benzopyran-4-one,3-hydroxy-2-(4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 363.18; (6)ACD/BCF (pH 7.4): 352.99; (7)ACD/KOC (pH 5.5): 2366.45; (8)ACD/KOC (pH 7.4): 2300.02; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 72.47 cm³; (15)Molar Volume: 198.2 cm³; (16)Polarizability: 28.73×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.353 g/cm³; (19)Flash Point: 160.7 °C; (20)Enthalpy of Vaporization: 71.84 kJ/mol; (21)Boiling Point: 426.7 °C at 760 mmHg; (22)Vapour Pressure: 4.86E-08 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)cccc3
2.InChI: InChI=1/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3
3.InChIKey: IIBBFGMVMNZMGA-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3
5.Std. InChIKey: IIBBFGMVMNZMGA-UHFFFAOYSA-N

Product Name

4'-METHOXYFLAVONOL

4H-1-Benzopyran-4-one,3-hydroxy-2-(4-methoxyphenyl)- Specification

Related Products

Hot Products