UCSF

ZINC00152372

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 No

Popular Name: (2E)-3-(4-Isopropoxyphenyl)acrylic acid (2E)-3-(4-Isopropoxyphenyl)acryl…

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CAS Numbers: 20718-97-2 , 586960-22-7 , [586960-22-7]

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) 2.71 1.39 -50.59 0 3 -1 49 205.233 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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