7Y8
Summary
| Name: | 3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol |
| Formula: | C9 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 167.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{R})-2-azanyl-1-oxidanyl-propyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9?/m1/s1 |
| InChIKey | InChI | 1.03 | WXFIGDLSSYIKKV-VJSCVCEBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)[C@@H](O)c1cccc(O)c1 |
| SMILES | CACTVS | 3.385 | C[CH](N)[CH](O)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(c1cccc(c1)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(c1cccc(c1)O)O)N |
