W0E
3-azanyl-5-methyl-phenol
| Created: | 2023-04-21 |
| Last modified: | 2024-05-01 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 18 |
| Chiral Atom Count | 0 |
| Bond Count | 18 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3-azanyl-5-methyl-phenol |
| Systematic Name (OpenEye OEToolkits) | 3-azanyl-5-methyl-phenol |
| Formula | C7 H9 N O |
| Molecular Weight | 123.152 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | Cc1cc(N)cc(O)c1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)O)N |
| Canonical SMILES | CACTVS | 3.385 | Cc1cc(N)cc(O)c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)O)N |
| InChI | InChI | 1.06 | InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3 |
| InChIKey | InChI | 1.06 | NCUABBHFJSFKOJ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 3018667 |
| CCDC/CSD | MATBIT |
| COD | 4111838 |
