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CAS No.: | 104775-30-6 |
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Name: | 2-Propionylcyclohexane-1,3-dione |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H12O3 |
Molecular Weight: | 168.192 |
Synonyms: | 1,3-Cyclohexanedione, 2-(1-oxopropyl)-; |
Density: | 1.143 g/cm3 |
Boiling Point: | 321.031 °C at 760 mmHg |
Flash Point: | 136.967 °C |
PSA: | 51.21000 |
LogP: | 0.90380 |
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The 2-Propionylcyclohexane-1,3-dione, with the CAS registry number 104775-30-6, is also known as 1,3-Cyclohexanedione, 2-(1-oxopropyl)-. This chemical's molecular formula is C9H12O3 and molecular weight is 168.1898. Its systematic name is called 2-propanoylcyclohexane-1,3-dione.
Physical properties of 2-Propionylcyclohexane-1,3-dione: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 41.77 cm3; (12)Molar Volume: 147.206 cm3; (13)Surface Tension: 41.832 dyne/cm; (14)Density: 1.143 g/cm3; (15)Flash Point: 136.967 °C; (16)Enthalpy of Vaporization: 56.275 kJ/mol; (17)Boiling Point: 321.031 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC)C1C(=O)CCCC1=O
(2)InChI: InChI=1/C9H12O3/c1-2-6(10)9-7(11)4-3-5-8(9)12/h9H,2-5H2,1H3
(3)InChIKey: DVLHCJHTXAHANV-UHFFFAOYAA