Mol Weight - 178.23
Smiles - CC(C)(C)c(cc1)cc(C=O)c1O
| Property Name | Property Value |
| Mol Name | 5-tert-Butyl-2-hydroxybenzaldehyde |
| Molweight | 178.23 |
| Monoisotopic Mass | 178.09938 |
| Clogp | 2.8291 |
| Clogs | -2.804 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 146.34 |
| Relative Psa | 0.17863 |
| Polar Surface Area | 37.3 |
| Druglikeness | -7.2808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.50476 |
| Molecular Complexity | 0.66789 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)c(cc1)cc(C=O)c1O |
| InChIKey | InChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3 |
| InChI | ZVCQQLGWGRTXGC-UHFFFAOYSA-N |
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1 — 5-tert-Butyl-2-hydroxybenzaldehyde | 2 — 5-tert-Butyl-2-hydroxybenzaldehyde