UCSF

ZINC01695805

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate Ethyl 3-(4-methoxyphenyl)-3-oxop…

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CAS Numbers: 2881-83-6 , [2881-83-6]

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) 1.72 6.96 -14.36 0 4 0 53 222.24 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 170 / 14 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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