UCSF

ZINC00084189

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 14 No

Popular Name: 3-(4-nitrophenyl)propanoic acid 3-(4-nitrophenyl)propanoic acid

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CAS Numbers: 10572-16-4 , 16642-79-8 , [16642-79-8]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.84 6.4 -43.83 0 5 -1 86 194.166 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 164-168? Alfa-Aesar
Melting_Point 164-168° Alfa-Aesar
MP 167-170° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem

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