UCSF

ZINC00133166

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 3-(4-Methoxybenzoyl)propionic acid 3-(4-Methoxybenzoyl)propionic acid

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CAS Numbers: 3153-44-4 , [3153-44-4]

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) 1.30 5.78 -45.82 0 4 -1 66 207.205 5 ↓
Lo Low (pH 4.5-6) 1.30 3.8 -8.34 1 4 0 64 208.213 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 145 - 147 Enamine Building Blocks
MP 145...147 Enamine Building Blocks
Melting_Point 147-151? Alfa-Aesar
Melting_Point 147-151° Alfa-Aesar
MP 148 - 150 Enamine Building Blocks
M.P 148-150 °C Indofine
MP 148-150° Matrix Scientific
MP 149 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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