1,2-Propanedione,1-cyclopropyl- supplier

Name
1-Cyclopropylpropane-1,2-dione
EINECS
CAS No. 15940-89-3
Density 1.142 g/cm³
Solubility
Melting Point
Formula C₆H₈O₂
Boiling Point 155.2 °C at 760 mmHg
Molecular Weight 112.128
Flash Point 47.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Cyclopropyl-1,2-propanedione;
PSA 34.14000
LogP 0.55450

1,2-Propanedione,1-cyclopropyl- 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

Product Name

1-Cyclopropylpropane-1,2-dione

1,2-Propanedione,1-cyclopropyl- Specification

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