UCSF

ZINC00154837

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 No

Popular Name: 4-Methoxy-3-nitrobenzoic acid 4-Methoxy-3-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89-41-8 , [89-41-8]

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) 1.79 4.86 -47.52 0 6 -1 95 196.138 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 185-190? Alfa-Aesar
Melting_Point 185-190° Alfa-Aesar
Mp [°C] 189 - 194 Acros Organics
MP 192 TCI
MP 192 - 194 Enamine Building Blocks
M.P 192-194 °C Indofine
MP 192...194 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% 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% )