UCSF

ZINC00156089

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 4-Acetoxy-3-methoxycinnamic acid 4-Acetoxy-3-methoxycinnamic acid

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CAS Numbers: 2596-47-6 , [2596-47-6]

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) 1.05 6.29 -53.4 0 5 -1 76 235.215 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 193-196? Alfa-Aesar
Melting_Point 193-196° Alfa-Aesar
M.P 193-196°C Indofine
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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