UCSF

ZINC04206065

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: 3-(4-tert-Butyl-phenyl)-propionic acid 3-(4-tert-Butyl-phenyl)-propioni…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1208-64-6 , 67364-88-9 , [1208-64-6]

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) 3.59 2.27 -45.98 0 2 -1 40 205.277 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102? Alfa-Aesar
Melting_Point 102° Alfa-Aesar
MP 105 - 107 Enamine Building Blocks
MP 105...107 Enamine Building Blocks
MP 110-112° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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