| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: Dimethyl phthalate Dimethyl phthalate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131-11-3 , [131-11-3]
1,2-dimethyl benzene-1,2-dicarboxylate
Benzene-1,2-dicarboxylic acid dimethyl ester
Dimethyl phthalate, carbonyl-13C2
| 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) | 1.55 | 6.12 | -13.23 | 0 | 4 | 0 | 53 | 194.186 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 1 - 2 | Enamine Building Blocks |
| BP [°C] | 282 | Acros Organics |
| Boiling_Point | 283-284? | Alfa-Aesar |
| Boiling_Point | 283-284° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Melting_Point | ca 5? | Alfa-Aesar |
| Melting_Point | ca 5° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.