Basic information
- Name:
Propanoic acid, 2-oxo-, magnesium salt (2:1)
- Superlist Name:
- Magnesium pyruvate
- CAS No.:
81686-75-1
- Molecular Structure:
- Formula:
- C6H6MgO6
- Molecular Weight:
- 198.41
- Synonyms:
- Propanoicacid, 2-oxo-, magnesium(2+) salt (9CI);Magnesium bis(2-oxopropanoate);
- Boiling Point:
- 165 °C at 760 mmHg
- Flash Point:
- 54.3 °C
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Specification
The Magnesium pyruvate, with the CAS registry number 81686-75-1, is also known as Propanoicacid, 2-oxo-, magnesium(2+) salt (9CI). It belongs to the product category of Fine Chemical & Intermediates. Its EINECS number is 234-206-9. This chemical's molecular formula is C6H6MgO6 and molecular weight is 198.41. What's more, its systematic name is Magnesium bis(2-oxopropanoate).
Physical properties of Magnesium pyruvate are: (1)ACD/LogP: -1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.04; (4)ACD/LogD (pH 7.4): -4.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.37 Å2 ; (13)Flash Point: 54.3 °C; (14)Enthalpy of Vaporization: 44.28 kJ/mol; (15)Boiling Point: 165 °C at 760 mmHg; (16)Vapour Pressure: 0.968 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Mg+2].O=C([O-])C(=O)C.[O-]C(=O)C(=O)C
(2)Std. InChI: InChI=1S/2C3H4O3.Mg/c2*1-2(4)3(5)6;/h2*1H3,(H,5,6);/q;;+2/p-2
(3)Std. InChIKey: IGDSPVZZOMJIPB-UHFFFAOYSA-L