UCSF

ZINC00153760

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: Ethyl isonicotinoylacetate Ethyl isonicotinoylacetate

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CAS Number: 26377-17-3

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) 0.37 5.91 -13.89 0 4 0 56 193.202 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 53 - 59 Acros Organics
Melting_Point 53-59? Alfa-Aesar
MP 56-59° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Matrix Scientific
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% )

No pre-computed analogs available. Try a structural similarity search.