Rutamarin CAS NO.14882-94-1

in stocks, high purity

The Rutamarin, with the CAS registry number 14882-94-1, is also known as 5-19-06-00053 (Beilstein Handbook Reference).It belongs to the product organic matters; Esters.This chemical's molecular formula is C₂₁H₂₄O₅ and molecular weight is 356.41. What's more, Its systematic name is 2-[6-(2-Methyl-3-buten-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl acetate.

Physical properties about Rutamarin are: (1)ACD/LogP:  4.201; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  4.20; (4)ACD/LogD (pH 7.4):  4.20; (5)ACD/BCF (pH 5.5):  917.76; (6)ACD/BCF (pH 7.4):  917.76; (7)ACD/KOC (pH 5.5):  4595.39; (8)ACD/KOC (pH 7.4):  4595.39; (9)#H bond acceptors:  5; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  5; (12)Index of Refraction:  1.555; (13)Molar Refractivity:  96.087 cm³; (14)Molar Volume:  299.304 cm³; (15)Surface Tension:  45 dyne/cm; (16)Density:  1.191 g/cm³; (17)Flash Point:  204.866 °C; (18)Enthalpy of Vaporization: 73.377 kJ/mol; (19)Boiling Point:  471.093 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:O=C/3Oc2cc1OC(Cc1cc2\C=C\3C(\C=C)(C)C)C(OC(=O)C)(C)C;
(2)Std. InChI:InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3;
(3)Std. InChIKey:AWMHMGFGCLBSAY-UHFFFAOYSA-N;