UCSF

ZINC00391880

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: Methyl phenylsulfonylacetate Methyl phenylsulfonylacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34097-60-4 , [34097-60-4]

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) 0.67 2.95 -15.34 0 4 0 60 214.242 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 165?/0.05mm Alfa-Aesar
Boiling_Point 165°/0.05mm Alfa-Aesar
Purity 97% Matrix Scientific
Melting_Point ca 30? Alfa-Aesar
Melting_Point ca 30° Alfa-Aesar
PUBCHEM_PATENT_ID EP0969840A1; WO1998042342A1 IBM Patent Data
Warnings Irritant Matrix Scientific

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