UCSF

ZINC01442763

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 12 Yes

Popular Name: Methyl 4-methoxypyridine-2-carboxylate Methyl 4-methoxypyridine-2-carbo…

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CAS Numbers: 29681-43-4 , 64463-46-3 , 86251-48-1 , [29681-43-4]

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) 0.99 2.68 -8.53 0 4 0 48 167.164 3 ↓
Mid Mid (pH 6-8) 0.99 2.99 -34.11 1 4 1 50 168.172 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 43 - 45 Enamine Building Blocks
MP 43...45 Enamine Building Blocks
Melting_Point 47-50? Alfa-Aesar
MP 50-51° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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