The CAS registry number of 9H-Xanthene is 201851-33-4. This chemical's molecular formula is C14H11IO and molecular weight is 322.14. What's more, its systematic name is called 9-(Iodomethyl)-9H-xanthene.
Physical properties about 9H-Xanthene,9-(iodomethyl)- are: (1) ACD/LogP: 4.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.84; (4) ACD/LogD (pH 7.4): 4.84; (5) ACD/BCF (pH 5.5): 2793.8; (6) ACD/BCF (pH 7.4): 2793.8; (7) ACD/KOC (pH 5.5): 10194.87; (8) ACD/KOC (pH 7.4): 10194.87; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 9.23 Å2; (13) Index of Refraction: 1.663; (14) Molar Refractivity: 73.06 cm3; (15) Molar Volume: 197 cm3; (16) Surface Tension: 52.2 dyne/cm; (17) Density: 1.635 g/cm3; (18)Flash Point: 174 °C; (19) Enthalpy of Vaporization: 58.62 kJ/mol; (20) Boiling Point: 364.1 °C at 760 mmHg; (21) Vapour Pressure: 3.62E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ICC2c3c(Oc1c2cccc1)cccc3
(2) InChI: InChI=1/C14H11IO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9H2
(3) InChIKey: MEVPAWYPDVSDLL-UHFFFAOYAF
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View