UCSF

ZINC00394965

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Isobutyl phenylacetate Isobutyl phenylacetate

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CAS Numbers: 102-13-6 , [102-13-6]

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) 3.10 2.9 -5.87 0 2 0 26 192.258 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 247 TCI
Boiling_Point 247? Alfa-Aesar
Boiling_Point 247° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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