UCSF

ZINC02576192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 4-isopropoxy-3-methoxybenzoic acid 4-isopropoxy-3-methoxybenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3535-33-9 , [3535-33-9]

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) 2.23 1.43 -49.45 0 4 -1 58 209.221 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 140 - 142 Enamine Building Blocks
MP 140...142 Enamine Building Blocks
MP 148-150° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

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