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CAS No.: | 4290-90-8 |
---|---|
Name: | 1-PENTYL-1H-INDOLE-2,3-DIONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C13H15NO2 |
Molecular Weight: | 217.268 |
Synonyms: | 1-Pentyl-1H-indole-2,3-dione; |
Density: | 1.145 g/cm3 |
Melting Point: | 47 °C |
Boiling Point: | 346.3 °C at 760 mmHg |
Flash Point: | 149.8 °C |
PSA: | 37.38000 |
LogP: | 2.47110 |
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The 1-Pentylindole-2,3-dione, with the CAS registry number 4290-90-8, is also known as 1-Pentyl-1H-indole-2,3-dione. This chemical's molecular formula is C13H15NO2 and molecular weight is 217.2637. What's more, its IUPAC name is called1-Pentylindole-2,3-dione.
Physical properties about 1-Pentylindole-2,3-dione are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67; (6)ACD/BCF (pH 7.4): 67; (7)ACD/KOC (pH 5.5): 705.89; (8)ACD/KOC (pH 7.4): 705.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 60.86 cm3; (15)Molar Volume: 189.6 cm3; (16)Surface Tension: 44.3 dyne/cm; (17)Density: 1.145 g/cm3; (18)Flash Point: 149.8 °C; (19) Enthalpy of Vaporization: 59.04 kJ/mol; (20)Boiling Point: 346.3 °C at 760 mmHg; (21)Vapour Pressure: 5.83E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1N(C2=O)CCCCC
(2) InChI: InChI=1/C13H15NO2/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(15)13(14)16/h4-5,7-8H,2-3,6,9H2,1H3
(3) InChIKey: UGVPQGQPUANQSX-UHFFFAOYAC