| Identification | |
| Name: | Butanedioic acid 2-ethyl-6-methyl-3-pyridinol (1:1) |
| Synonyms: | Butanedioic acid,compounds,compd. with 2-ethyl-6-methyl-3-pyridinol (1:1);Emoxypine succinate;mexidol;Butanedioic acid; 2-ethyl-6-methyl-pyridin-3-ol; |
| CAS: | 127464-43-1 |
| Molecular Formula: | C8H11NO.C4H6O4 |
| Molecular Weight: | 255.2671 |
| InChI: | InChI=1/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8) |
| Molecular Structure: |  |
| Properties | |
| Density: | g/cm3 |
| Specification: |
The Butanedioic acid 2-ethyl-6-methyl-3-pyridinol (1:1), with its CAS registry number 127464-43-1, has the IUPAC name of butanedioic acid; 2-ethyl-6-methylpyridin-3-ol. And it has the chemical formula of C12H17NO5 and the molecular weight of 255.27. The characteristics of Butanedioic acid 2-ethyl-6-methyl-3-pyridinol (1:1) are as follows: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 25.36; (8)ACD/KOC (pH 7.4): 73.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12; (13)Flash Point: 123.5 °C; (14)Enthalpy of Vaporization: 54.03 kJ/mol; (15)Boiling Point: 280.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0022 mmHg at 25°C; (17)Exact Mass: 255.110673; (18)MonoIsotopic Mass: 255.110673; (19)Topological Polar Surface Area: 108; (20)Heavy Atom Count: 18; (21)Complexity: 198. In addition, you could convert the following datas into the molecular structure: |
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