This chemical is called 1H-Pyrrole-2,5-dione,1-(2-furanylmethyl)-, and its systematic name is 1-(furan-2-ylmethyl)-1H-pyrrole-2,5-dione. With the molecular formula of C9H7NO3, its molecular weight is 177.16. The CAS registry number of this chemical is 32620-61-4. In addition, as this chemical is irritant, be careful when you use it.
Other characteristics of the 1H-Pyrrole-2,5-dione,1-(2-furanylmethyl)- can be summarised as followings: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): ; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): ; (6)ACD/BCF (pH 7.4): ; (7)ACD/KOC (pH 5.5): ; (8)ACD/KOC (pH 7.4): ; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.52 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 43.34 cm3; (15)Molar Volume: 127.1 cm3 ; (16)Polarizability: 17.18×10-24cm3; (17)Surface Tension: 60 dyne/cm ; (18)Density: 1.393 g/cm3; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 55.9 kJ/mol; (21)Boiling Point: 317.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000382 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C/1N(C(=O)\C=C\1)Cc2occc2
2.InChI: InChI=1/C9H7NO3/c11-8-3-4-9(12)10(8)6-7-2-1-5-13-7/h1-5H,6H2
3.InChIKey: LGSUUIGEQAOVIU-UHFFFAOYAV
4.Std. InChI: InChI=1S/C9H7NO3/c11-8-3-4-9(12)10(8)6-7-2-1-5-13-7/h1-5H,6H2
5.Std. InChIKey: LGSUUIGEQAOVIU-UHFFFAOYSA-N
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