TL;DR: 1,2-Dihydroacenaphthylenecarboxaldehyde (CAS 84412-11-3) is a chemical compound with molecular formula C13H10O and molecular weight 182.07317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dihydroacenaphthylene-4-carbaldehyde
Also Known As: 1,2-DIHYDROACENAPHTHYLENECARBOXALDEHYDE, 1,2-dihydroacenaphthylene-4-carbaldehyde
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H10O |
| Molecular Weight | 182.07317 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.07317 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | C1CC2=C3C1=CC=CC3=CC(=C2)C=O |
| InChIKey | CXOYJCOONOHMJI-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1,2-Dihydroacenaphthylenecarboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2-Dihydroacenaphthylenecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydroacenaphthylenecarboxaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2-Dihydroacenaphthylenecarboxaldehyde is 84412-11-3.
The molecular formula of 1,2-Dihydroacenaphthylenecarboxaldehyde is C13H10O.
The molecular weight of 1,2-Dihydroacenaphthylenecarboxaldehyde is 182.07317 g/mol.
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