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15940-89-3

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Basic Information
CAS No.: 15940-89-3
Name: 1-Cyclopropylpropane-1,2-dione
Molecular Structure:
Molecular Structure of 15940-89-3 (1-Cyclopropylpropane-1,2-dione)
Formula: C6H8O2
Molecular Weight: 112.128
Synonyms: 1-Cyclopropyl-1,2-propanedione;
Density: 1.142 g/cm3
Boiling Point: 155.2 °C at 760 mmHg
Flash Point: 47.7 °C
PSA: 34.14000
LogP: 0.55450
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Specification

The 1,2-Propanedione,1-cyclopropyl- has the CAS registry number 15940-89-3. This chemical's molecular formula is C6H8O2 and molecular weight is 112.13. What's more, its systematic name is 1-Cyclopropylpropane-1,2-dione. 

Physical properties of 1,2-Propanedione,1-cyclopropyl- are: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.97; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.11; (8)ACD/KOC (pH 7.4): 7.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 27.7 cm3; (15)Molar Volume: 98.1 cm3; (16)Polarizability: 10.98×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 47.7 °C; (20)Enthalpy of Vaporization: 39.19 kJ/mol; (21)Boiling Point: 155.2 °C at 760 mmHg; (22)Vapour Pressure: 3.07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C(=O)C1CC1
(2)InChI: InChI=1S/C6H8O2/c1-4(7)6(8)5-2-3-5/h5H,2-3H2,1H3
(3)InChIKey: LYGCEXZUGZMYCQ-UHFFFAOYSA-N