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CAS No.: | 585-09-1 |
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Name: | dipotassium malate |
Molecular Structure: | |
Formula: | C4H6O5.2K |
Molecular Weight: | 212.27 |
Synonyms: | Butanedioicacid, hydroxy-, dipotassium salt (9CI);Malic acid, dipotassium salt (8CI);Dipotassium malate;Potassium malate; |
EINECS: | 209-549-2 |
Boiling Point: | 306.4 °C at 760 mmHg |
Flash Point: | 153.4 °C |
PSA: | 80.26000 |
LogP: | -3.12370 |
This chemical is called Dipotassium malate, and its systematic name is Butanedioic acid, hydroxy-, dipotassium salt. With the molecular formula of C4H6O5.2K, its molecular weight is 212.27. The CAS registry number of this chemical is 585-09-1.
Other characteristics of the Dipotassium malate can be summarised as followings: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -6; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.83 Å2; (13)Flash Point: 153.4 °C; (14)Enthalpy of Vaporization: 63.43 kJ/mol; (15)Boiling Point: 306.4 °C at 760 mmHg; (16)Vapour Pressure: 7.19E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [K+].[K+].[O-]C(=O)CC(O)C([O-])=O
2.InChI: InChI=1/C4H6O5.2K/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
3.InChIKey: SVICABYXKQIXBM-NUQVWONBAI