| Phytochemical Name : Baldrinal |
| PCNDIDB0005 |
| Pubchem CID : 159846 |
| Molecular formula: C12H10O4 |
| Canonical SMILES : CC(=O)OCC1=COC=C2C1=CC=C2C=O |
Synonymes : Baldrinal|18234-46-3|(7-Formylcyclopenta[c]pyran-4-yl)methyl acetate|CCRIS 2663|BRN 5942017|4-(Hydroxymethyl)cyclopenta(c)pyran-7-carboxaldehyde acetate|Cyclopenta(c)pyran-7-carboxaldehyde, 4-((acetyloxy)methyl)-|Cyclopenta[c]pyran-7-carboxaldehyde, 4-[(acetyloxy)methyl]-|Cyclopenta(c)pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate|Cyclopenta[c]pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate|SCHEMBL11487523|CHEBI:80746|DTXSID60171285|HY-N2401|MFCD01735560|AKOS015896843|AC-34191|LS-58151|MS-23201|XB178325|CS-0022603|FT-0776431|(7-Formylcyclopenta[c]pyran-4-yl)methylacetate|(7-Formylcyclopenta[c]pyran-4-yl)methyl acetate #|Q27149799 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.160 |
| Log Po/w (XLOGP3) : 1.120 |
| Log Po/w (WLOGP) : 2.110 |
| Log Po/w (MLOGP) : 0.530 |
| Log Po/w (SILICOS-IT) : 2.750 |
| Consensus Log Po/w : 1.730 |