UCSF

ZINC01666990

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: Methyl caprylate Methyl caprylate

Find On: PubMed — Wikipedia — Google

CAS Number: 111-11-5

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) 3.33 6.82 -4.75 0 2 0 26 158.241 7 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 40? Alfa-Aesar
Melting_Point 40° Alfa-Aesar
Boiling_Point 193-194? Alfa-Aesar
Boiling_Point 193-194° Alfa-Aesar
BP [°C] 79 (p=12 torr) Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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