UCSF

ZINC02585696

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

Popular Name: 5-(1,1-Dimethylheptyl)resorcinol 5-(1,1-Dimethylheptyl)resorcinol

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CAS Numbers: 56469-10-4 , [56469-10-4]

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) 5.01 -0.87 -4.64 2 2 0 40 236.355 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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