UCSF

ZINC02043611

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 15 No

Popular Name: Ethyl 2-methyl-3-oxo-3-phenylpropanoate Ethyl 2-methyl-3-oxo-3-phenylpro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10488-87-6 , [10488-87-6]

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) 2.44 3.36 -12.14 0 3 0 43 206.241 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0492350A1; EP0492350B1; US5208345 IBM Patent Data

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