UCSF

ZINC21303598

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Methyl 4-hydroxy-3-methylbenzoate Methyl 4-hydroxy-3-methylbenzoate

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CAS Number: 42113-13-3

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) 2.47 3 -10 1 3 0 47 166.176 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 124-125° Oakwood Chemical
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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