DK0
Summary
Name: | (2~{R})-1-phenylpropan-2-ol |
Formula: | C9 H12 O |
Formal charge: | 0 |
Formula weight: | 136.191 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{R})-1-phenylpropan-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1 |
InChIKey | InChI | 1.03 | WYTRYIUQUDTGSX-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)Cc1ccccc1 |
SMILES | CACTVS | 3.385 | C[CH](O)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cc1ccccc1)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1ccccc1)O |