| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2006 | 20 | Yes |
Popular Name: 4-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid 4-(((2-Ethylhexyl)oxy)carbonyl)b…
Find On: PubMed — Wikipedia — Google
CAS Number: 155603-50-2
1,4-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester (9CI)
CCRIS 7053; LS-189301; Mono(2-ethylhexyl) terephthalate; Mono(ethylhexyl)terephthalate
| 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) | 5.21 | 3 | -45.09 | 0 | 4 | -1 | 66 | 277.34 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0809679A2; EP0809679B1; US5861211 | IBM Patent Data |
