UCSF

ZINC12360008

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: 3-(3-Pyridyl)propionic acid methyl ester 3-(3-Pyridyl)propionic acid meth…

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CAS Number: 84199-98-4

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) 0.95 4.96 -7.01 0 3 0 39 165.192 4 ↓
Lo Low (pH 4.5-6) 0.95 5.24 -36.54 1 3 1 40 166.2 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 134?/12mm Alfa-Aesar
Boiling_Point 134°/12mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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