UCSF

ZINC12338418

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2008 20 No

Popular Name: 3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2-propen-1-one 3-(1,3-benzodioxol-5-yl)-1-(4-hy…

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CAS Numbers: 19152-39-7 , [19152-39-7] , [191545-24-1]

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) 3.22 -0.54 -11.96 1 4 0 56 268.268 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 209 - 210 MolMall (formerly Molecular Diversity Preservation International)
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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