UCSF

ZINC02798986

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 14 No

Popular Name: 4-(cyclopentyloxy)benzaldehyde 4-(cyclopentyloxy)benzaldehyde

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CAS Numbers: 164520-98-3 , [164520-98-3]

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) 3.18 1.39 -7.24 0 2 0 26 190.242 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0897918A1; WO1999007694A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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Rings

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