UCSF

ZINC02572126

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 No

Popular Name: Methyl 4-oxobutanoate Methyl 4-oxobutanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13865-19-5 , [13865-19-5]

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) 0.23 2.77 -10.38 0 3 0 43 116.116 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 187-188° Oakwood Chemical
Purity 90% Fluorochem
PUBCHEM_PATENT_ID EP0765160A1 IBM Patent Data

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