V32
4-morpholin-4-ylcarbonylbenzaldehyde
Created: | 2021-04-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-morpholin-4-ylcarbonylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-morpholin-4-ylcarbonylbenzaldehyde |
Formula | C12 H13 N O3 |
Molecular Weight | 219.237 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)C(=O)N2CCOCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCOCC2 |
Canonical SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)C(=O)N2CCOCC2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCOCC2 |
InChI | InChI | 1.03 | InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2 |
InChIKey | InChI | 1.03 | WVDVJQSVTBHGQL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 20569837 |