UCSF

ZINC02029851

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 15 Yes

Popular Name: Hexyl benzoate Hexyl benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6789-88-4 , [6789-88-4]

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) 4.56 2.74 -5.42 0 2 0 26 206.285 7 ↓

Vendor Notes

Note Type Comments Provided By
BP 272 TCI
Boiling_Point 272? Alfa-Aesar
Boiling_Point 272° Alfa-Aesar

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