[3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
Chemical Structure Depiction of
[3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
[3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
Compound characteristics
| Compound ID: | R052-0662 |
| Compound Name: | [3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid |
| Molecular Weight: | 215.2 |
| Molecular Formula: | C9 H13 N O5 |
| Smiles: | CC1CC(C(CC(O)=O)C1C[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.3352 |
| logD: | -3.2539 |
| logSw: | -1.3032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.076 |
| InChI Key: | YPCIKCQPODDZAT-UHFFFAOYSA-N |