UCSF

ZINC04992747

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 16 No

Popular Name: 3-(4-Ethoxy-phenyl)-1H-pyrazole-4-carbaldehyde 3-(4-Ethoxy-phenyl)-1H-pyrazole-…

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CAS Numbers: 879996-58-4 , [879996-58-4]

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) 2.14 4.43 -8.59 1 4 0 55 216.24 4 ↓
Ref Reference (pH 7) 2.14 4.37 -8.21 1 4 0 55 216.24 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 170-173° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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