UCSF

ZINC00161894

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde 1-(4-methoxyphenyl)-5-methyl-1H-…

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CAS Number: 423768-44-9

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) 1.66 5.11 -12.34 0 4 0 44 216.24 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 80 - 82 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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