UCSF

ZINC01641690

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: Methyl 3-benzoylpropionate Methyl 3-benzoylpropionate

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CAS Number: 25333-24-8

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) 1.56 6.54 -6.94 0 3 0 43 192.214 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 172-174?/10mm Alfa-Aesar
MP 172-174o C Indofine
Boiling_Point 172-174°/10mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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