UCSF

ZINC00150231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: 3-(2-methoxyphenyl)propanoic acid 3-(2-methoxyphenyl)propanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25173-35-7 , 495-78-3 , 6342-77-4 , [6342-77-4]

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) 1.89 5.08 -50.33 0 3 -1 49 179.195 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 85 - 89 Acros Organics
M.P 85-87 °C Indofine
Melting_Point 85-88? Alfa-Aesar
Melting_Point 85-88° Alfa-Aesar
MP 90-92° Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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