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CAS No.: | 36469-01-9 |
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Name: | 2-methyl-2-pyridin-2-yl-indene-1,3-dione |
Molecular Structure: | |
Formula: | C15H11NO2 |
Molecular Weight: | 237.258 |
Synonyms: | 1,3-Indandione,2-methyl-2-(2-pyridyl)- (6CI);NSC 43580; |
Density: | 1.266 g/cm3 |
Boiling Point: | 429.1 °C at 760 mmHg |
Flash Point: | 214.3 °C |
PSA: | 47.03000 |
LogP: | 2.41850 |
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The 1H-Indene-1,3(2H)-dione,2-methyl-2-(2-pyridinyl)-, with the CAS registry number 36469-01-9, is also known as 2-Methyl-2-(pyridin-2-yl)-1H-indene-1,3(2H)-dione. This chemical's molecular formula is C15H11NO2 and molecular weight is 237.25334. Its IUPAC name is called 2-methyl-2-pyridin-2-ylindene-1,3-dione.
Physical properties of 1H-Indene-1,3(2H)-dione,2-methyl-2-(2-pyridinyl)-: (1)ACD/LogP: 2.35; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.62; (6)Molar Refractivity: 65.83 cm3; (7)Molar Volume: 187.3 cm3; (8)Surface Tension: 54.3 dyne/cm; (9)Density: 1.266 g/cm3; (10)Flash Point: 214.3 °C; (11)Enthalpy of Vaporization: 68.43 kJ/mol; (12)Boiling Point: 429.1 °C at 760 mmHg; (13)Vapour Pressure: 1.44E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=N3
(2)InChI: InChI=1S/C15H11NO2/c1-15(12-8-4-5-9-16-12)13(17)10-6-2-3-7-11(10)14(15)18/h2-9H,1H3
(3)InChIKey: NRUZCPLUZGZWJO-UHFFFAOYSA-N