TL;DR: 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo- (CAS 134005-73-5) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-hydroxy-4,6-dioxo-6-phenylhex-2-enoic acid
Also Known As: 2-hydroxy-4,6-dioxo-6-phenyl-hex-2-enoic acid, 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo-, (Z)-2-hydroxy-4,6-dioxo-6-phenylhex-2-enoic acid, (2Z)-2-Hydroxy-4,6-dioxo-6-phenyl-2-hexenoic acid, (2Z)-2-hydroxy-4,6-dioxo-6-phenylhex-2-enoic acid
| Molecular Formula | C12H10O5 |
| Molecular Weight | 234.05283 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.05283 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)/C=C(/C(=O)O)\O |
| InChIKey | ANULUJCEOOBAPW-XFFZJAGNSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo-. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo-. Following Lipinski's Rule of Five, 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo- is 134005-73-5.
The molecular formula of 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo- is C12H10O5.
The molecular weight of 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo- is 234.05283 g/mol.
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