V2Q
Summary
| Name: | 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde |
| Formula: | C12 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 219.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | LYPKTPMANKAIQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1CN(C1)C(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | COC1CN(C1)C(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC1CN(C1)C(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1CN(C1)C(=O)c2ccc(cc2)C=O |
