TL;DR: Butane-1,4-diol; oxalic acid (CAS 34090-00-1) is a chemical compound with molecular formula C6H12O6 and molecular weight 180.06339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butane-1,4-diol;oxalic acid
Also Known As: butane-1,4-diol; oxalic acid, butane-1,4-diol;oxalic acid, Oxalic acid--butane-1,4-diol (1/1), OXALIC ACID & 1,4-BUTANEDIOL POLYMER
| Molecular Formula | C6H12O6 |
| Molecular Weight | 180.06339 g/mol |
| XLogP | -1.09 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.06339 Da |
| Heavy Atoms | 12 |
| Complexity | 89.0 |
| SMILES | C(CCO)CO.C(=O)(C(=O)O)O |
| InChIKey | FKKXKAVYHSOVIW-UHFFFAOYSA-N |
The XLogP value of -1.09 indicates that Butane-1,4-diol; oxalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diol; oxalic acid. Following Lipinski's Rule of Five, Butane-1,4-diol; oxalic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Butane-1,4-diol; oxalic acid is 34090-00-1.
The molecular formula of Butane-1,4-diol; oxalic acid is C6H12O6.
The molecular weight of Butane-1,4-diol; oxalic acid is 180.06339 g/mol.
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