UCSF

ZINC21303519

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 12 Yes

Popular Name: Methyl 5-hydroxy-2-methylbenzoate Methyl 5-hydroxy-2-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73505-48-3 , [73505-48-3]

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) 1.67 2.8 -8.29 1 3 0 47 166.176 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 96% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1997021698A1 IBM Patent Data

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