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| CAS No.: | 64-15-3 |
|---|---|
| Name: | Pentanedioic acid,2-oxo-, ion(2-) |
| Molecular Structure: | |
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| Formula: | C5H4O5 |
| Molecular Weight: | 144.084 |
| Synonyms: | Glutaricacid, 2-oxo-, ion(2-) (8CI);2-Oxopentanedioate;alpha-Ketoglutarate;2-Oxo-1,5-pentanedioate; |
| Density: | g/cm3 |
| Boiling Point: | 345.615 °C at 760 mmHg |
| Flash Point: | 177.02 °C |
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Specification
The Pentanedioic acid,2-oxo-, ion(2-), with the CAS registry number 64-15-3, is also known as alpha-Ketoglutarate. This chemical's molecular formula is C5H4O5 and molecular weight is 144.08. What's more, its systematic name is 2-Oxopentanedioate.
Physical properties of Pentanedioic acid,2-oxo-, ion(2-) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 97.33 Å2; (10)Flash Point: 177.02 °C; (11)Enthalpy of Vaporization: 64.799 kJ/mol; (12)Boiling Point: 345.615 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: C(CC(=O)[O-])C(=O)C(=O)[O-]
(2)InChI: InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2
(3)InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-L