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Adipic acid, magnesium salt (1:1)

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  • Name Adipic acid, magnesium salt (1:1)
  • EINECS231-294-0
  • CAS No. 7486-39-7
  • DensityN/A
  • PSA74.60000
  • LogP0.71600
  • SolubilityN/A
  • Melting Point152oC
  • FormulaC6H8MgO4
  • Boiling Point338.5 °C at 760 mmHg
  • Molecular Weight168.43032
  • Flash Point172.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 7486-39-7 (magnesium adipate)
  • Hazard SymbolsN/A
  • SynonymsN/A

Adipic acid, magnesium salt (1:1) Specification

The Adipic acid, magnesium salt (1:1), with the CAS registry number 7486-39-7, is also known as Hexanedioic acid, magnesium salt (1:1). This chemical's molecular formula is C6H8MgO4 and molecular weight is 168.43032. What's more, its IUPAC name and systematic name are the same which is called Magnesium hexanedioate.

Physical properties about Adipic acid, magnesium salt (1:1) are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -4.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12) Polar Surface Area: 74.6 Å2; (13)Flash Point: 172.7 °C; (14)Enthalpy of Vaporization: 63.95 kJ/mol; (15)Boiling Point: 338.5 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Mg+2].[O-]C(=O)CCCCC(=O)[O-]
(2) InChI: InChI=1/C6H10O4.Mg/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
(3) InChIKey: QXNFATVALXHNRJ-NUQVWONBAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180 mg/kg (180 mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02884,

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