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6705-46-0

Basic Information
CAS No.: 6705-46-0
Name: Cyclopropyl propyl ketone
Article Data: 12
Molecular Structure:
Molecular Structure of 6705-46-0 (Cyclopropyl propyl ketone)
Formula: C7H12O
Molecular Weight: 112.172
Synonyms: 1-Cyclopropyl-1-butanone;Cyclopropane, butyryl-;Cyclopropyl propyl ketone;NSC 98293;
Density: 0.954 g/cm3
Boiling Point: 154.1 °C at 760 mmHg
Flash Point: 44.8 °C
PSA: 17.07000
LogP: 1.76560
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Specification

The Cyclopropyl propyl ketone, with the CAS registry number 6705-46-0, has the systematic name of 1-cyclopropylbutan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H12O.

The characteristics of Cyclopropyl propyl ketone are as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 32.3 cm3; (9)Molar Volume: 117.5 cm3; (10)Polarizability: 12.8×10-24cm3; (11)Surface Tension: 34 dyne/cm; (12)Density: 0.954 g/cm3; (13)Flash Point: 44.8 °C; (14)Enthalpy of Vaporization: 39.09 kJ/mol; (15)Boiling Point: 154.1 °C at 760 mmHg; (16)Vapour Pressure: 3.23 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(CCC)C1CC1
(2)InChI: InChI=1/C7H12O/c1-2-3-7(8)6-4-5-6/h6H,2-5H2,1H3
(3)InChIKey: BQZDDAHAABBWRC-UHFFFAOYAX