| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: METHYL 4-ACETOXYBENZOATE METHYL 4-ACETOXYBENZOATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24262-66-6 , 74079-01-9
1,4-Benzene-2,3,5,6-d4-dicarboxylic acid, dimethyl ester
4-acetoxybenzoic acid methyl ester; Methyl 4-acetoxybenzoate; bmse010008
Dimethyl terephthalate-d4(ring-d4)
Dimethyl terephthalate-d4(ring-d4), 95%
Dimethyl terephthalate-d?(ring-d?)
Dimethyl terephthalate-d{4}(ring-d{4}), 95%
| 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) | 1.66 | 6.38 | -9.46 | 0 | 4 | 0 | 53 | 194.186 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 82 | TCI |
| M.P | 82-84 °C | Indofine |
No pre-computed analogs available. Try a structural similarity search.