UCSF

ZINC00151413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 No

Popular Name: 3-Chlorocinnamic acid 3-Chlorocinnamic acid

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CAS Numbers: 14473-90-6 , 1866-38-2 , [1866-38-2]

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) 2.56 0.95 -47.5 0 2 -1 40 181.598 2 ↓

Vendor Notes

Note Type Comments Provided By
M.P 161-164 °C Indofine
Melting_Point 161-164? Alfa-Aesar
Melting_Point 161-164° Alfa-Aesar
MP 163-166° Oakwood Chemical
MP 164 TCI
MP 164 - 165 Enamine Building Blocks
MP 164...165 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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