3-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)benzoic acid
Chemical Structure Depiction of
3-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)benzoic acid
3-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)benzoic acid
Compound characteristics
| Compound ID: | 1935-0149 |
| Compound Name: | 3-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)benzoic acid |
| Molecular Weight: | 309.32 |
| Molecular Formula: | C18 H15 N O4 |
| Smiles: | C1CC12C1C=CC2C2C1C(N(C2=O)c1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3364 |
| logD: | -1.3531 |
| logSw: | -1.7214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.384 |
| InChI Key: | VTOBAQSGVFJUTB-UHFFFAOYSA-N |