UCSF

ZINC00137688

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 2-(2-acetylphenoxy)acetic acid 2-(2-acetylphenoxy)acetic acid

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CAS Numbers: 1878-62-2 , [1878-62-2]

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) 1.09 5.82 -61.03 0 4 -1 66 193.178 4 ↓
Hi High (pH 8-9.5) 2.14 6.25 -91.22 7 7 2 113 410.566 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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