UCSF

ZINC01995222

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 10 Yes

Popular Name: 2,5-Dimethylanisole 2,5-Dimethylanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1706-11-2 , [1706-11-2]

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) 2.82 1.95 -3.58 0 1 0 9 136.194 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 189-190? Alfa-Aesar
Boiling_Point 189-190° Alfa-Aesar
BP 194 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US6140325 IBM Patent Data

Activity (Go SEA)

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