-
Name
Irisflorentin
- EINECS
- CAS No. 41743-73-1
- Article Data1
- CAS DataBase
- Density 1.348 g/cm3
- Solubility
- Melting Point 165-167 °C
- Formula C20H18O8
- Boiling Point 569.1 °C at 760 mmHg
- Molecular Weight 386.358
- Flash Point 250.5 °C
- Transport Information
- Appearance
- Safety 24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-7-(3,4,5-trimethoxyphenyl)-;9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one;8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,9- methoxy-7-(3,4,5-trimethoxyphenyl)-;
- PSA 85.59000
- LogP 3.22310
Irisflorentin Specification
The Irisflorentin, with the CAS registry number 41743-73-1, is also known as 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-7-(3,4,5-trimethoxyphenyl)-. This chemical's molecular formula is C20H18O8 and molecular weight is 386.35. What's more, both its IUPAC name and systematic name are the same which is called 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-8-one.
Physical properties about Irisflorentin are: (1) ACD/LogP: 3.19; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.19; (4) ACD/LogD (pH 7.4): 3.19; (5) ACD/BCF (pH 5.5): 156.61; (6) ACD/BCF (pH 7.4): 156.61; (7) ACD/KOC (pH 5.5): 1296.15; (8) ACD/KOC (pH 7.4): 1296.15; (9) #H bond acceptors: 8; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 81.68 Å2; (13) Index of Refraction: 1.593; (14) Molar Refractivity: 97.08 cm3; (15) Molar Volume: 286.4 cm3; (16) Surface Tension: 48.9 dyne/cm; (17) Density: 1.348 g/cm3; (18) Flash Point: 250.5 °C; (19) Enthalpy of Vaporization: 85.39 kJ/mol; (20) Boiling Point: 569.1 °C at 760 mmHg; (21) Vapour Pressure: 5.75E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C(c1cc(OC)c(OC)c(OC)c1)=C\Oc4c2c(OC)c3OCOc3c4
(2) InChI: InChI=1/C20H18O8/c1-22-13-5-10(6-14(23-2)18(13)24-3)11-8-26-12-7-15-19(28-9-27-15)20(25-4)16(12)17(11)21/h5-8H,9H2,1-4H3
(3) InChIKey: RISXUTCDCPHJFQ-UHFFFAOYAJ
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