[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 |