UCSF

ZINC02389402

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 15 Yes

Popular Name: 5-(tert-Butyl)-2-methoxybenzoic acid 5-(tert-Butyl)-2-methoxybenzoic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73469-54-2 , [73469-54-2]

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) 3.62 2.43 -58.62 0 3 -1 49 207.249 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 74-76? Alfa-Aesar
Melting_Point 74-76° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0463876B1; US5368971 IBM Patent Data

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