UCSF

ZINC01712450

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: Cyclopentyl phenyl ketone Cyclopentyl phenyl ketone

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CAS Numbers: 1272-44-2 , 5422-88-8 , [1272-44-2] , [5422-88-8]

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) 3.24 1.61 -6.22 0 1 0 17 174.243 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 136-140?/16mm Alfa-Aesar
Boiling_Point 136-140°/16mm Alfa-Aesar
BP 159 / 27 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem

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