UCSF

ZINC16696788

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 14 Yes

Popular Name: 6-Acetyl-picolinic acid ethyl ester 6-Acetyl-picolinic acid ethyl ester

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CAS Numbers: 114578-70-0 , [114578-70-0]

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) 0.94 4.84 -7.01 0 4 0 56 193.202 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 4.900000000000000e+001 - 5.100000000000000e+001 KeyOrganics
melting_point 49 - 51 KeyOrganics
MP 49-51° Matrix Scientific
Purity 97% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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