Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)- |
EINECS | N/A |
CAS No. | 6936-87-4 | Density | 1.364 g/cm3 |
PSA | 42.09000 | LogP | 3.42770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H11NO2 | Boiling Point | 492.3 °C at 760 mmHg |
Molecular Weight | 249.26 | Flash Point | 251.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phthalide, 3-indol-3-yl- (6CI,8CI);NSC 42087;3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one; |
Article Data | 7 |
The 1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)-, with the CAS registry number 6936-87-4, is also known as Phthalide, 3-indol-3-yl- (6CI,8CI). This chemical's molecular formula is C16H11NO2 and molecular weight is 249.26. What's more, its systematic name is 3-(1H-indol-3-yl)-2-benzofuran-1(3H)-one.
Physical properties of 1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)- are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 31.23 Å2; (7)Index of Refraction: 1.721; (8)Molar Refractivity: 72.27 cm3; (9)Molar Volume: 182.6 cm3; (10)Polarizability: 28.65×10-24cm3; (11)Surface Tension: 63.6 dyne/cm; (12)Density: 1.364 g/cm3; (13)Flash Point: 251.5 °C; (14)Enthalpy of Vaporization: 75.92 kJ/mol; (15)Boiling Point: 492.3 °C at 760 mmHg; (16)Vapour Pressure: 7.76E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(c1ccccc12)c4c3ccccc3nc4
(2)InChI: InChI=1S/C16H11NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,15,17H
(3)InChIKey: NFKMAYYHLXEVDM-UHFFFAOYSA-N