UCSF

ZINC02577194

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 13 No

Popular Name: ethyl (E)-3-(3-pyridinyl)-2-propenoate ethyl (E)-3-(3-pyridinyl)-2-prop…

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CAS Numbers: 28447-17-8 , 59607-99-7 , [28447-17-8] , [59607-99-7]

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) 1.49 5.57 -6.93 0 3 0 39 177.203 4 ↓
Lo Low (pH 4.5-6) 1.49 5.85 -39.37 1 3 1 40 178.211 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-102?/0.075mm Alfa-Aesar
Boiling_Point 100-102°/0.075mm Alfa-Aesar
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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