VIP
Summary
| Name: | 3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol |
| Formula: | C9 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 167.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{S})-2-azanyl-1-oxidanyl-propan-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C)(CO)c1cc(O)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | NDGQNHQZSMXHET-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@](N)(CO)c1cccc(O)c1 |
| SMILES | CACTVS | 3.385 | C[C](N)(CO)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@](CO)(c1cccc(c1)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CO)(c1cccc(c1)O)N |
