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CAS No.: | 16473-11-3 |
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Name: | Bicyclo[3.3.1]nonane-2,6-dione |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H12O2 |
Molecular Weight: | 152.193 |
Synonyms: | Bicyclo(3.3.1)nonane-2,6-dione;Meerwein's ketone;NSC 92375;Bicyclo[3.3.1]nonan-2,6-dion; |
Density: | 1.138 g/cm3 |
Melting Point: | 151 °C |
Boiling Point: | 283.718 °C at 760 mmHg |
Flash Point: | 105.574 °C |
Appearance: | White to off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 34.14000 |
LogP: | 1.33470 |
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The Bicyclo[3.3.1]nonane-2,6-dione, with the CAS registry number 16473-11-3, belongs to the following product categories: C9; Carbonyl Compounds; Ketones. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H12O2.
The characteristics of Bicyclo[3.3.1]nonane-2,6-dione are as followings: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.29; (8)ACD/KOC (pH 7.4): 24.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 39.81 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 15.78×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 105.6 °C; (20)Enthalpy of Vaporization: 52.27 kJ/mol; (21)Boiling Point: 283.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00311 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause serious damage to eyes. Therefore, you had better take the following instructions: Wear eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCC2C(=O)CCC1C2
(2)InChI: InChI=1/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2
(3)InChIKey: QWNPVTXLBMSEPN-UHFFFAOYAI