UCSF

ZINC02755721

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 12 No

Popular Name: (2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)acrylic acid (2E)-3-(1,3-dimethyl-1H-pyrazol-…

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CAS Numbers: 514800-75-0 , [514800-75-0]

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) 0.33 3.77 -52.39 0 4 -1 58 165.172 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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