| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: 4-tert-Butylbenzoic acid 4-tert-Butylbenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17264-53-8 , 5451-55-8 , 98-73-7 , [52509-84-9] , [98-73-7]
"4-tert-Butylbenzoic acid, 99%"
4-t-Butylbenzoic acid; 98-73-7; C14535; p-tert-Butylbenzoic acid
4-tert-Butylbenzoic acid, 99+%
4-tert-Butylcyclohexanecarboxylic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.56 | 7.38 | -49.07 | 0 | 2 | -1 | 40 | 177.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 156 - 159 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 162-165° | Oakwood Chemical |
| Melting_Point | 164-168? | Alfa-Aesar |
| Melting_Point | 164-168° | Alfa-Aesar |
| MP | 165 - 167 | Enamine Building Blocks |
| MP | 165...167 | Enamine Building Blocks |
| MP | 167 | TCI |
| MP | 167° | Matrix Scientific |
| Boiling_Point | 280? dec. | Alfa-Aesar |
| Boiling_Point | 280° dec. | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | 99% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.