SJW
Summary
Name: | 3-pyridin-3-ylpropanal |
Formula: | C8 H9 N O2 |
Formal charge: | 0 |
Formula weight: | 151.163 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-pyridin-3-ylpropanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11) |
InChIKey | InChI | 1.06 | WDGXIUUWINKTGP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cccnc1 |
SMILES | CACTVS | 3.385 | OC(=O)CCc1cccnc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CCC(=O)O |