UCSF

ZINC02580675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 4-(Methylsulfonyl)benzyl alcohol 4-(Methylsulfonyl)benzyl alcohol

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CAS Numbers: 22821-77-8 , [22821-77-8]

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) 0.14 -0.64 -13.09 1 3 0 54 186.232 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 82-84° Matrix Scientific
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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