UCSF

ZINC01694404

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: Octyl acetate Octyl acetate

Find On: PubMed — Wikipedia — Google

CAS Number: 112-14-1

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) 3.84 7.79 -4.83 0 2 0 26 172.268 8 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 210-211? Alfa-Aesar
Boiling_Point 210-211° Alfa-Aesar
BP [°C] 211 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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