6,7,8-Trimethoxycoumarin supplier

Name
6,7,8-Trimethoxycoumarin
EINECS 200-485-9
CAS No. 6035-49-0
Article Data16
CAS DataBase
Density 1.249 g/cm³
Solubility
Melting Point 104-105°C
Formula C₁₂H₁₂O₅
Boiling Point 405.9 °C at 760 mmHg
Molecular Weight 236.224
Flash Point 183.3 °C
Transport Information
Appearance
Safety 22-45
Risk Codes 22
Molecular Structure
Hazard Symbols
Synonyms Coumarin,6,7,8-trimethoxy- (6CI,8CI);6,7,8-Trimethoxy-2H-1-benzopyran-2-one;6,7,8-Trimethoxycoumarin;Fraxetin dimethyl ether;Dimethylfraxetin;
PSA 57.90000
LogP 1.81880

6,7,8-Trimethoxycoumarin Specification

This chemical is called 6,7,8-Trimethoxycoumarin, and its CAS registry number is 6035-49-0. With the molecular formula of C₁₂H₁₂O₅, its molecular weight is 236.22. Additionally, its product category is Coumarins.

Other characteristics of the 6,7,8-Trimethoxycoumarin can be summarised as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.4; (6)ACD/BCF (pH 7.4): 13.4; (7)ACD/KOC (pH 5.5): 223.03; (8)ACD/KOC (pH 7.4): 223.03; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 59.8 cm³; (15)Molar Volume: 189.1 cm³; (16)Polarizability: 23.7×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 65.76 kJ/mol; (21)Boiling Point: 405.9 °C at 760 mmHg; (22)Vapour Pressure: 8.46E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C/1Oc2cc(OC)c(OC)c(OC)c2\C=C\1
2.InChI: InChI=1/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3
3.InChIKey: FOBNRKTURPWTQX-UHFFFAOYAU

Product Name

6,7,8-Trimethoxycoumarin

6,7,8-Trimethoxycoumarin Specification

Related Products

Hot Products