UCSF

ZINC01681283

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

Popular Name: 1-cyclopentylethanone 1-cyclopentylethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 12116-28-8 , 1271-55-2 , 1273-94-5 , 6004-60-0 , [1273-94-5] , [6004-60-0]

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) 1.64 4.74 -5.21 0 1 0 17 112.172 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 151-156? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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