UCSF

ZINC00409237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: 1,3-Diacetoxybenzene 1,3-Diacetoxybenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108-58-7 , [19806-17-8]

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) 1.02 6.95 -13.02 0 4 0 53 194.186 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 278 TCI
Boiling_Point 278? Alfa-Aesar
Boiling_Point 278° Alfa-Aesar

Activity (Go SEA)

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