UCSF

ZINC02037864

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 11 No

Popular Name: 2-Phenyl-2-butenal 2-Phenyl-2-butenal

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CAS Number: 4411-89-6

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) 2.36 2.31 -8.19 0 1 0 17 146.189 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 115?/15mm Alfa-Aesar
Boiling_Point 115°/15mm Alfa-Aesar

Activity (Go SEA)

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