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101736-47-4

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Basic Information
CAS No.: 101736-47-4
Name: 1-ANTHRACEN-9-YL-BUTANE-1,3-DIONE
Article Data: 4
Molecular Structure:
Molecular Structure of 101736-47-4 (1-ANTHRACEN-9-YL-BUTANE-1,3-DIONE)
Formula: C18H14O2
Molecular Weight: 262.308
Synonyms: 1,3-Butanedione,1-(9-anthryl)- (6CI);1-(Anthracen-9-yl)butane-1,3-dione;1-(9-Anthryl)-1,3-butanedione;
Density: 1.195 g/cm3
Boiling Point: 463.3 °C at 760 mmHg
Flash Point: 172.3 °C
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Specification

The 1,3-Butanedione,1-(9-anthracenyl)-, with the CAS registry number 101736-47-4, is also known as 1-(9-Anthryl)-1,3-butanedione. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C18H14O2 and molecular weight is 262.3. What's more, its systematic name is 1-(Anthracen-9-yl)butane-1,3-dione.

Physical properties of 1,3-Butanedione,1-(9-anthracenyl)- are: (1)ACD/LogP: 4.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.663; (8)Molar Refractivity: 81.26 cm3; (9)Molar Volume: 219.3 cm3; (10)Polarizability: 32.21×10-24 cm3; (11)Surface Tension: 50.5 dyne/cm; (12)Density: 1.195 g/cm3; (13)Flash Point: 172.3 °C; (14)Enthalpy of Vaporization: 72.45 kJ/mol; (15)Boiling Point: 463.3 °C at 760 mmHg; (16)Vapour Pressure: 9.18E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
(2)InChI: InChI=1S/C18H14O2/c1-12(19)10-17(20)18-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)18/h2-9,11H,10H2,1H3
(3)InChIKey: HEGRMYBTNIGYIV-UHFFFAOYSA-N