UCSF

ZINC00396313

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Methyl 3-phenylpropionate Methyl 3-phenylpropionate

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CAS Number: 103-25-3

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) 2.19 2.63 -5.19 0 2 0 26 164.204 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 109-110°/13mm Oakwood Chemical
Boiling_Point 236-239? Alfa-Aesar
Boiling_Point 236-239° Alfa-Aesar
BP 239 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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