UCSF

ZINC01706892

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 2',4'-Dimethylacetophenone 2',4'-Dimethylacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89-74-7 , [89-74-7]

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) 2.66 2.21 -5.82 0 1 0 17 148.205 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 122 / 27 TCI
Boiling_Point 227-228? Alfa-Aesar
Boiling_Point 227-228° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0444844A2; EP0444844B1; EP0453127A2; EP0453127A3; EP0453127B1; EP0467564A2; EP0467564B1; EP0503887A2; EP0503887B1; US5212324; US5221799; US5252605; US5346921; US5686487 IBM Patent Data

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