UCSF

ZINC01699974

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 Yes

Popular Name: Dimethyl sebacate Dimethyl sebacate

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CAS Numbers: 106-79-6 , [106-79-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.99 3.97 -9.07 0 4 0 52 230.304 11 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 25-28? Alfa-Aesar
Melting_Point 25-28° Alfa-Aesar
Boiling_Point 287-289? Alfa-Aesar
Boiling_Point 287-289° Alfa-Aesar
M.P 29-31 °C(lit.) Indofine

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )