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42858-60-6

Basic Information
CAS No.: 42858-60-6
Name: Cyclohexanecarboxylicacid, 3,5-dioxo-
Molecular Structure:
Molecular Structure of 42858-60-6 (Cyclohexanecarboxylicacid, 3,5-dioxo-)
Formula: C7H8O4
Molecular Weight: 156.14
Synonyms: 3,5-Dioxocyclohexanecarboxylicacid;5-Carboxy-1,3-cyclohexanedione;Dihydro-a-resorcylic acid;Dihydroresorcylic acid;
EINECS:
Density: 1.398 g/cm3
Melting Point: 178.5-180 °C
Boiling Point: 401.509 °C at 760 mmHg
Flash Point: 210.786 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes:
Safety:
Transport Information:
PSA: 71.44000
LogP: 0.00930
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  • 3,5-Dioxocyclohexanecarboxylic acid

  • Casno:

    42858-60-6

    3,5-Dioxocyclohexanecarboxylic acid

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    3,5-Dioxocyclohexanecarboxylic acid Application:823883

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  • Cyclohexanecarboxylicacid, 3,5-dioxo-

  • Casno:

    42858-60-6

    Cyclohexanecarboxylicacid, 3,5-dioxo-

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  • 3,5-Dioxocyclohexanecarboxylic Acid

  • Casno:

    42858-60-6

    3,5-Dioxocyclohexanecarboxylic Acid

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  • 3,5-Dioxocyclohexanecarboxylic acid

  • Casno:

    42858-60-6

    3,5-Dioxocyclohexanecarboxylic acid

    Min.Order: 0

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    High quality Application:Pharmaceutial

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Specification

The 3,5-Dioxocyclohexanecarboxylic acid, with the cas registry number 42858-60-6, is also called 1,3-Cyclohexanedione-5-carboxylic acid. It belongs to the product categories of Carboxylic Acids and Ring Systems. And the molecular formula of the chemical is C7H8O4.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.44 Å2; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 34.039 cm3; (13)Molar Volume: 111.698 cm3; (14)Polarizability: 13.494×10-24cm3; (15)Surface Tension: 60.286 dyne/cm; (16)Density: 1.398 g/cm3; (17)Flash Point: 210.786 °C; (18)Enthalpy of Vaporization: 71.608 kJ/mol; (19)Boiling Point: 401.509 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CC(=O)CC(=O)C1
(2)InChI: InChI=1/C7H8O4/c8-5-1-4(7(10)11)2-6(9)3-5/h4H,1-3H2,(H,10,11)
(3)InChIKey: MCGPFJGIBKPQGO-UHFFFAOYAA