| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 14 | No |
Popular Name: 3-(4-isopropylphenyl)acrylic acid 3-(4-isopropylphenyl)acrylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 116373-36-5 , 3368-21-6 , [3368-21-6]
(2E)-3-(4-isopropylphenyl)acrylic acid
(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoic acid
(Z)-3-(4-isopropylphenyl)-2-propenoic acid
2-propenoic acid, 3-[4-(1-methylethyl)phenyl]-
2-propenoic acid, 3-[4-(1-methylethyl)phenyl]-, (2E)-
4-Isopropylcinnamic acid, predominantly trans
| 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) | 3.42 | 8.26 | -48.34 | 0 | 2 | -1 | 40 | 189.234 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 150 - 154 | Enamine Building Blocks |
| MP | 151 - 153 | Enamine Building Blocks |
| MP | 151...153 | Enamine Building Blocks |
| MP | 157-159° | Oakwood Chemical |
| Melting_Point | 157-161? | Alfa-Aesar |
| Melting_Point | 157-161° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
