| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 13 | Yes |
Popular Name: 4-Isopropylphenylacetic acid 4-Isopropylphenylacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4476-28-2 , 61776-69-0 , 67634-21-3 , [4476-28-2]
(4-Isopropyl-phenyl)-acetic acid
(4-isopropylphenyl)acetic acid
2-(4-Isopropylphenyl)acetic acid
2-[4-(propan-2-yl)phenyl]acetic acid
4-Isopropylphenylacetic acid, 98+%
Benzeneacetic acid, 4-(1-methylethyl)-, potassium salt (9CI)
| 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) | 2.88 | 1.83 | -47.1 | 0 | 2 | -1 | 40 | 177.223 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 7.27 | -22.79 | 2 | 9 | 0 | 95 | 472.517 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 51 - 53 | Enamine Building Blocks |
| Melting_Point | 51-52? | Alfa-Aesar |
| Melting_Point | 51-52° | Alfa-Aesar |
| MP | 51...53 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
