5-[(2-hydroxy-5-methyl-3-nitrophenyl)methyl]furan-2-carboxylic acid
Chemical Structure Depiction of
5-[(2-hydroxy-5-methyl-3-nitrophenyl)methyl]furan-2-carboxylic acid
5-[(2-hydroxy-5-methyl-3-nitrophenyl)methyl]furan-2-carboxylic acid
Compound characteristics
| Compound ID: | 4161-2536 |
| Compound Name: | 5-[(2-hydroxy-5-methyl-3-nitrophenyl)methyl]furan-2-carboxylic acid |
| Molecular Weight: | 277.23 |
| Molecular Formula: | C13 H11 N O6 |
| Smiles: | Cc1cc(Cc2ccc(C(O)=O)o2)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.6837 |
| logD: | -1.0136 |
| logSw: | -2.6254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.776 |
| InChI Key: | ZOAOSOSIHBUSBR-UHFFFAOYSA-N |