UCSF

ZINC00157039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 5-Methoxysalicylic acid 5-Methoxysalicylic acid

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CAS Numbers: 2/4/2612 12:00:00 AM , 25832-71-7 , 2612-02-4 , 2612/2/4 , 672-13-9 , [2612-02-4]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.90 1.48 -54.69 1 4 -1 70 167.14 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 141-144? Alfa-Aesar
Melting_Point 141-144° Alfa-Aesar
Mp [°C] 142 - 146 Acros Organics
MP 144 TCI
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.