UCSF

ZINC00389697

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 Yes

Popular Name: 3-(3-Methoxyphenyl)propionic acid 3-(3-Methoxyphenyl)propionic acid

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CAS Numbers: 10516-71-9 , 1237171-26-4

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) 1.91 5.03 -47.84 0 3 -1 49 179.195 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 43 - 45 Enamine Building Blocks
M.P 43-45 °C Indofine
Melting_Point 43-47? Alfa-Aesar
Melting_Point 43-47° Alfa-Aesar
MP 43...45 Enamine Building Blocks
MP 44-46° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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