Obsolete: PPP
Summary
| Name: | 3-PHENYL-1,2-PROPANDIOL |
| Formula: | C9 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 152.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-phenylpropane-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-phenylpropane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(Cc1ccccc1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC[CH](O)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | JHWQMXKQJVAWKI-VIFPVBQESA-N |
