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| CAS No.: | 31635-99-1 |
|---|---|
| Name: | MESOXALIC ACID MONOHYDRATE DISODIUM SALT |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C3H4O6.2Na |
| Molecular Weight: | 180.025 |
| Synonyms: | Malonicacid, dihydroxy-, disodium salt (8CI);Propanedioic acid, dihydroxy-, disodiumsalt (9CI);Disodium 2,2-dihydroxymalonate; |
| EINECS: | 250-741-0 |
| Density: | 2.181 g/cm3 |
| Boiling Point: | 474 °C at 760 mmHg |
| Flash Point: | 254.6 °C |
| PSA: | 120.72000 |
| LogP: | -4.83290 |
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Specification
The Propanedioic acid,2,2-dihydroxy-, sodium salt (1:2), with the CAS registry number 31635-99-1, is also known as Dihydroxymalonic acid disodium salt. Its EINECS registry number is 250-741-0. This chemical's molecular formula is C3H4O6.2Na and molecular weight is 180.02. Its systematic name is called disodium dihydroxypropanedioate.
Physical properties of Propanedioic acid,2,2-dihydroxy-, sodium salt (1:2): (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): -3.9; (3)ACD/LogD (pH 7.4): -3.9; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 254.6 °C; (12)Enthalpy of Vaporization: 84.99 kJ/mol; (13)Boiling Point: 474 °C at 760 mmHg; (14)Vapour Pressure: 5.63E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)C(O)(O)C([O-])=O
(2)InChI: InChI=1/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
(3)InChIKey: HMBGDJCPFGQLIO-NUQVWONBAK