UCSF

ZINC00102698

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Substance Information

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

Popular Name: 1-(Benzofuran-2-yl)ethanone 1-(Benzofuran-2-yl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Number: 1646-26-0

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) 2.40 1.81 -6.25 0 2 0 30 160.172 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 110-113?/3mm Alfa-Aesar
Boiling_Point 110-113°/3mm Alfa-Aesar
MP 70 - 72 Enamine Building Blocks
Melting_Point 70-72? Alfa-Aesar
Melting_Point 70-72° Alfa-Aesar
MP 70...72 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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