sodium--3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate (1/1)
Chemical Structure Depiction of
sodium--3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate (1/1)
sodium--3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate (1/1)
Compound characteristics
| Compound ID: | 4310-2076 |
| Compound Name: | sodium--3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoate (1/1) |
| Molecular Weight: | 261.25 |
| Molecular Formula: | C12 H16 N O4 |
| Salt: | Na+ |
| Smiles: | CCOC(c1c(C)c(CCC([O-])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7354 |
| logD: | 1.7354 |
| logSw: | -1.3116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.357 |
| InChI Key: | CUMYMXCUGHBKLV-UHFFFAOYSA-M |