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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, |