UCSF

ZINC00040073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 3,3-Dimethyl-2-benzofuran-1(3H)-one 3,3-Dimethyl-2-benzofuran-1(3H)-one

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CAS Numbers: 1689-09-4 , 9/4/1689 , [1689-09-4]

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) 2.36 2.14 -10.26 0 2 0 26 162.188 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 69 - 70 MolMall (formerly Molecular Diversity Preservation International)
Purity 97% Fluorochem

Activity (Go SEA)

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