UCSF

ZINC34914538

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 99-42-3 , [99-42-3]

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) 1.78 3.92 -11.91 1 6 0 92 197.146 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 73-77? Alfa-Aesar
Melting_Point 73-77° Alfa-Aesar
M.P 74-76°C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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