UCSF

ZINC00129744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: Ethyl 3,4,5-trimethoxybenzoylacetate Ethyl 3,4,5-trimethoxybenzoylace…

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CAS Numbers: 3044-56-2 , 38975-83-6

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) 1.29 6.81 -16.85 0 6 0 71 282.292 8 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 86 - 91 Acros Organics
MP 94-95° Matrix Scientific
Purity 95% 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% )