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CAS No.: | 24402-98-0 |
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Name: | 1,2,3,4,4a,9a-Hexahydro-1,4-methanoanthracene-9,10-dione |
Molecular Structure: | |
Formula: | C15H14O2 |
Molecular Weight: | 226.275 |
Synonyms: | 1,2,3,4,4a,9a-Hexahydro-1,4-methanoanthracene-9,10-dione |
Density: | 1.257 g/cm3 |
Boiling Point: | 399.7 °C at 760 mmHg |
Flash Point: | 149.7 °C |
PSA: | 34.14000 |
LogP: | 2.72790 |
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The 1,4-Methanoanthracene-9,10-dione,1,2,3,4,4a,9a-hexahydro- is an organic compound with the formula C15H14O2. The systematic name of this chemical is 1,2,3,4,4a,9a-hexahydro-1,4-methanoanthracene-9,10-dione. With the CAS registry number 24402-98-0, it is also named as Tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-3,10-dione.
Physical properties about 1,4-Methanoanthracene-9,10-dione,1,2,3,4,4a,9a-hexahydro- are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 2.94; (4)ACD/BCF (pH 5.5): 101.22; (5)ACD/BCF (pH 7.4): 101.22; (6)ACD/KOC (pH 5.5): 948.37; (7)ACD/KOC (pH 7.4): 948.37; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14 Å2; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 62.46 cm3; (12)Molar Volume: 179.9 cm3; (13)Polarizability: 24.76×10-24cm3; (14)Surface Tension: 48.9 dyne/cm; (15)Density: 1.257 g/cm3; (16)Flash Point: 149.7 °C; (17)Enthalpy of Vaporization: 65.05 kJ/mol; (18)Boiling Point: 399.7 °C at 760 mmHg; (19)Vapour Pressure: 1.34E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c4c(C(=O)C2C1C3CCC2C3)cccc4
(2)InChI: InChI=1/C15H14O2/c16-14-10-3-1-2-4-11(10)15(17)13-9-6-5-8(7-9)12(13)14/h1-4,8-9,12-13H,5-7H2
(3)InChIKey: CSZUOCIWGJGKHZ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C15H14O2/c16-14-10-3-1-2-4-11(10)15(17)13-9-6-5-8(7-9)12(13)14/h1-4,8-9,12-13H,5-7H2
(5)Std. InChIKey: CSZUOCIWGJGKHZ-UHFFFAOYSA-N