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5682-75-7

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Basic Information
CAS No.: 5682-75-7
Name: 3-Chlorocyclohex-2-enone
Article Data: 26
Molecular Structure:
Molecular Structure of 5682-75-7 (3-Chlorocyclohex-2-enone)
Formula: C6H7ClO
Molecular Weight: 130.574
Synonyms: 2-Cyclohexen-1-one, 3-chloro-;
Density: 1.17 g/cm3
Boiling Point: 208.8 °C at 760 mmHg
Flash Point: 81.7 °C
PSA: 17.07000
LogP: 1.86210
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Specification

The 3-Chlorocyclohex-2-enone, with the CAS registry number 5682-75-7, is also known as 2-Cyclohexen-1-one, 3-chloro-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H7ClO and molecular weight is 130.57. Its systematic name is called 3-chlorocyclohex-2-en-1-one.

Physical properties of 3-Chlorocyclohex-2-enone: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1.81; (5)ACD/BCF (pH 7.4): 1.81; (6)ACD/KOC (pH 5.5): 53.18; (7)ACD/KOC (pH 7.4): 53.18; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.496; (10)Molar Refractivity: 32.41 cm3; (11)Molar Volume: 110.9 cm3; (12)Surface Tension: 34.4 dyne/cm; (13)Density: 1.17 g/cm3; (14)Flash Point: 81.7 °C; (15)Enthalpy of Vaporization: 44.51 kJ/mol; (16)Boiling Point: 208.8 °C at 760 mmHg; (17)Vapour Pressure: 0.21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C\C(=O)CCC1
(2)InChI: InChI=1/C6H7ClO/c7-5-2-1-3-6(8)4-5/h4H,1-3H2
(3)InChIKey: HGTXPEOKLIDWIK-UHFFFAOYAR