UCSF

ZINC00160571

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: Methyl 4-methoxy-3-nitrobenzoate Methyl 4-methoxy-3-nitrobenzoate

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CAS Numbers: , 40757-20-8 , [40757-20-8]

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) 2.05 3.36 -13.17 0 6 0 81 211.173 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 109-112? Alfa-Aesar
Melting_Point 109-112° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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