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CAS No.: | 424823-02-9 |
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Name: | 2-Acetyl-Cyclohexanone |
Molecular Structure: | |
Formula: | C8H12O2 |
Molecular Weight: | 140.17968 |
Synonyms: | Cyclohexanone, 2-acetyl-, radical ion(1+) (9CI) |
Density: | 1.044 g/cm3 |
Boiling Point: | 224.3 °C at 760 mmHg |
Flash Point: | 79.4 °C |
PSA: | 34.14000 |
LogP: | 1.33470 |
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The CAS register number of 2-Acetyl-Cyclohexanone is 424823-02-9. The molecular formula about this chemical is C8H12O2 and the molecular weight is 140.17968.
Physical properties about 2-Acetyl-Cyclohexanone are: (1)ACD/LogP: 0.08; (2)ACD/LogD (pH 5.5): 0.08; (3)ACD/LogD (pH 7.4): 0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.42; (7)ACD/KOC (pH 7.4): 26.41; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 37 cm3; (13)Molar Volume: 134.2 cm3; (14)Polarizability: 14.67x10-24cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.044 g/cm3; (17)Flash Point: 79.4 °C; (18)Enthalpy of Vaporization: 46.08 kJ/mol; (19)Boiling Point: 224.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0917 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1C(=O)C
(2)InChI: InChI=1/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
(3)InChIKey: OEKATORRSPXJHE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
(5)Std. InChIKey: OEKATORRSPXJHE-UHFFFAOYSA-N