4-[(9H-purin-6-yl)oxy]benzoic acid
Chemical Structure Depiction of
4-[(9H-purin-6-yl)oxy]benzoic acid
4-[(9H-purin-6-yl)oxy]benzoic acid
Compound characteristics
| Compound ID: | Y043-8240 |
| Compound Name: | 4-[(9H-purin-6-yl)oxy]benzoic acid |
| Molecular Weight: | 256.22 |
| Molecular Formula: | C12 H8 N4 O3 |
| Smiles: | c1cc(ccc1C(O)=O)Oc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 1.6331 |
| logD: | -0.8845 |
| logSw: | -1.9747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.588 |
| InChI Key: | ZJERBMKACLBCRO-UHFFFAOYSA-N |