UCSF

ZINC02580313

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

Popular Name: Ethyl 4-(4-nitrophenyl)-4-oxobutyrate Ethyl 4-(4-nitrophenyl)-4-oxobut…

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CAS Numbers: 15118-70-4 , [15118-70-4]

Other Names:

MFCD02261334

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) 1.89 8.19 -9.61 0 6 0 89 251.238 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 30-31° Oakwood Chemical

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