UCSF

ZINC01849853

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 13 Yes

Popular Name: Isopropyl phenylacetate Isopropyl phenylacetate

Find On: PubMed — Wikipedia — Google

CAS Number: 4861-85-2

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) 2.72 7.55 -6.2 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 252-254? Alfa-Aesar
Boiling_Point 252-254° Alfa-Aesar

Activity (Go SEA)

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