UCSF

ZINC02575880

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: Methyl 3-(2-methoxyphenyl)-3-oxopropanoate Methyl 3-(2-methoxyphenyl)-3-oxo…

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CAS Numbers: 54177-02-5 , [54177-02-5]

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) 1.29 6.78 -16.45 0 4 0 53 208.213 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 179-180°/15mm Oakwood Chemical
Purity 95% Fluorochem

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